Objective: Based on data mining technology, we attempted to explore the medication rules of modern traditional Chinese medicine (TCM) compounds in non-small cell lung cancer (NSCLC) treatment, to provide a reference for clinical drug use. Methods: From 2010 to 2017, TCM compounds used for NSCLC treatment were collected from the Beijing 301 Hospital. The modern TCM compounds utilized in the treatment of NSCLC were established in the prescription database. Excel, SPSS 22, and SPSS Modeler14.2 software were utilized for the frequency analysis, factor analysis, cluster analysis, and association analysis. Then, the quantitative and qualitative analyses of the regularity of TCM compound medications were performed, and the possible mechanism was discussed. Results: The treatment of NSCLC using Chinese herbal compounds involved 231 prescriptions, 389 types of Chinese herbs, and 135 types of high-frequency Chinese herbs. Of these, Fritillaria cirrhosa, stir-baked fried Scutellariae, raw Os Draconis, Poria cocos (Schw.) Wolf, and Scutellaria barbata were the top five frequently prescribed Chinese herbs. Among the 39 types of drugs, heat-clearing and detoxifying drugs and qi-tonifying drugs were the leading. Cold, warm, flat, slightly cold, sweet, bitter, and pungent of four properties and five tastes and the meridians of lung, spleen, and stomach were most commonly selected. Factor analysis extracted 12 common factors, and the cumulative contribution rate was 65.595%, which mainly contained tonifying qi and blood; tonifying yin, clearing away heat, and eliminating stagnation; tonifying the spleen, regulating qi, and eliminating phlegm. Forty drug groups were obtained by cluster analysis; a total of 63 association rules were obtained by association analysis. The pairs of Poria cocos → dried tangerine peel and fried Atractylodes macrocephala → dried tangerine peel were commonly used in NSCLC, while the three most frequent herb groups were raw Astragalus → fried A. macrocephala and Poria cocos; raw-medicated leaven → fried A. macrocephala and Poria cocos; and dried tangerine peel → fried A. macrocephala and Poria cocos. Conclusion: Lung cancer is mainly caused by qi stagnation, phlegm obstruction, phlegm, and blood stasis. Based on the principle of strengthening the body and dispelling pathogens, clinical treatment of NSCLC involves clearing heat and detoxifying, tonifying the spleen, regulating qi, eliminating phlegm to dispel pathogens, and tonifying qi and blood to strengthen the body.