SCHEMBL3605026

SCHEMBL3605026

N#Cc1cnc2ccc(N)cc2c1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.70
ERBB4 Q15303 5/20 0.70
ERBB2 P04626 13/20 0.64
MAP3K8 P41279 2/20 0.61
ERBB3 P21860 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17075799 0.90 EGFR (0.70) EGFRERBB4ERBB2MAP3K8ERBB3
SCHEMBL2951299 0.87 EGFR (0.63) EGFRERBB4ERBB2ERBB3
SCHEMBL13185141 0.86 STK3 (0.55) EGFRERBB4ERBB2MAP3K8
SCHEMBL20395121 0.86 EGFR (0.79) EGFRERBB4ERBB2ERBB3
SCHEMBL2201506 0.86 EGFR (0.70) EGFRERBB4ERBB2
Hydrochloric Acid SCHEMBL4962186 0.86 EGFR (0.69) EGFRERBB4ERBB2
SCHEMBL3593176 0.84 EGFR (0.60) EGFRERBB4ERBB2ERBB3
SCHEMBL3604713 0.83 STK3 (0.70) EGFRERBB4ERBB2MAP3K8ERBB3
SCHEMBL20395242 0.82 EGFR (1.00) EGFRERBB4ERBB2ERBB3
SCHEMBL233913 0.82 EGFR (0.77) EGFRERBB4ERBB2ERBB3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10246444-B2 1,2-dithiolane and dithiol compounds useful in treating mutant EGFR-mediated diseases and conditions SABILA BIOSCIENCES LLC (US) 2019-04-02 US disclosed
US-10246444-B2 1,2-dithiolane and dithiol compounds useful in treating mutant EGFR-mediated diseases and conditions SABILA BIOSCIENCES LLC (US) 2019-04-02 US disclosed
US-20180208584-A1 1,2-DITHIOLANE AND DITHIOL COMPOUNDS USEFUL IN TREATING MUTANT EGFR-MEDIATED DISEASES AND CONDITIONS SABILA BIOSCIENCES LLC (US) 2018-07-26 US disclosed
US-20180208584-A1 1,2-DITHIOLANE AND DITHIOL COMPOUNDS USEFUL IN TREATING MUTANT EGFR-MEDIATED DISEASES AND CONDITIONS SABILA BIOSCIENCES LLC (US) 2018-07-26 US disclosed
US-20180208584-A1 1,2-DITHIOLANE AND DITHIOL COMPOUNDS USEFUL IN TREATING MUTANT EGFR-MEDIATED DISEASES AND CONDITIONS SABILA BIOSCIENCES LLC (US) 2018-07-26 US disclosed
US-8765946-B2 Methods of preparing and using quinazoline and quinoline derivatives TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2014-07-01 US disclosed
US-8765946-B2 Methods of preparing and using quinazoline and quinoline derivatives TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2014-07-01 US disclosed
US-20120225872-A1 METHODS OF PREPARING AND USING QUINAZOLINE AND QUINOLINE DERIVATIVES TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2012-09-06 US disclosed
US-20120225872-A1 METHODS OF PREPARING AND USING QUINAZOLINE AND QUINOLINE DERIVATIVES TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2012-09-06 US disclosed
US-8198301-B2 Quinazoline and quinoline derivatives as irreversibe protein tyrosine kinase inhibitors TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2012-06-12 US disclosed
US-8198301-B2 Quinazoline and quinoline derivatives as irreversibe protein tyrosine kinase inhibitors TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2012-06-12 US disclosed
US-20100240649-A1 QUINAZOLINE AND QUINOLINE DERIVATIVES AS IRREVERSIBLE PROTEIN TYROSINE KINASE INHIBITORS TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2010-09-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10246444-B2 1,2-dithiolane and dithiol compounds useful in treating mutant EGFR-mediated diseases and conditions EGFR, BRCA1, PTPRJ EGFR 1/4885ERBB4 9/4885ERBB2 5/4885
US-20120225872-A1 METHODS OF PREPARING AND USING QUINAZOLINE AND QUINOLINE DERIVATIVES ABL1, MAP3K7, MAP3K5 EGFR 616/4885ERBB4 550/4885ERBB2 199/4885
US-20180208584-A1 1,2-DITHIOLANE AND DITHIOL COMPOUNDS USEFUL IN TREATING MUTANT EGFR-MEDIATED DISEASES AND CONDITIONS EGFR, BRCA1, PTPRJ EGFR 1/4885ERBB4 9/4885ERBB2 5/4885
US-20100240649-A1 QUINAZOLINE AND QUINOLINE DERIVATIVES AS IRREVERSIBLE PROTEIN TYROSINE KINASE INHIBITORS ABL1, MAP3K7, MAP3K5 EGFR 621/4885ERBB4 407/4885ERBB2 170/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.