SCHEMBL21886643

SCHEMBL21886643

COc1ccc2ncnc(Cl)c2c1OC1CCN(C)CC1(F)F

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 16/20 0.53
EGFR P00533 8/20 0.48
SRC P12931 1/20 0.47
PIK3CD O00329 2/20 0.38
PIK3CA P42336 2/20 0.38
PIK3CB P42338 2/20 0.38
PIK3CG P48736 2/20 0.38

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
SCHEMBL21886732 0.90 ERBB2 (0.45) ERBB2EGFRSRC
SCHEMBL30988720 0.88 ERBB2 (0.53) ERBB2EGFRSRCPIK3CDPIK3CA
SCHEMBL24106812 0.87 ERBB2 (0.43) ERBB2EGFRSRC
SCHEMBL23817334 0.84 ERBB2 (0.40) ERBB2EGFRSRCPIK3CDPIK3CA
SCHEMBL23817186 0.84 ERBB2 (0.40) ERBB2EGFRSRCPIK3CDPIK3CA
SCHEMBL3275840 0.82 SRC (0.63) ERBB2EGFRSRCPIK3CDPIK3CA
SCHEMBL30988724 0.82 ERBB2 (0.48) ERBB2EGFRSRCPIK3CDPIK3CA
SCHEMBL21886741 0.81 PIK3CD (0.46) ERBB2EGFRPIK3CDPIK3CAPIK3CB
SCHEMBL30988799 0.81 PIK3CD (0.46) ERBB2EGFRPIK3CDPIK3CAPIK3CB
SCHEMBL30988743 0.81 ERBB2 (0.47) ERBB2EGFRSRCPIK3CDPIK3CA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119317625-A Crystalline forms of quinazoline derivatives, preparation, compositions and uses thereof 豪夫迈·罗氏有限公司 2025-01-14 CN disclosed
EP-4360713-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS HOFFMANN LA ROCHE (CH) 2024-10-30 EP disclosed
CN-118255772-A Quinazoline derivatives as antitumor agents 苏州赞荣医药科技有限公司 2024-06-28 CN disclosed
US-20230293533-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2023-09-21 US disclosed
US-20230293533-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2023-09-21 US disclosed
US-11723908-B2 Quinazoline derivatives as antitumor agents SUZHOU ZANRONG PHARMA LIMITED (CN) 2023-08-15 US disclosed
US-11723908-B2 Quinazoline derivatives as antitumor agents SUZHOU ZANRONG PHARMA LIMITED (CN) 2023-08-15 US disclosed
US-20210386742-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2021-12-16 US disclosed
CN-112654612-A Quinazoline derivatives as antitumor agents 苏州赞荣医药科技有限公司 2021-04-13 CN disclosed
WO-2020057511-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS SUZHOU ZANRONG PHARMA LIMITED (CN) 2020-03-26 WO 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 (3 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-20210386742-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ABL1, TP53, JAK1 ERBB2 29/4885EGFR 117/4885SRC 93/4885
US-11723908-B2 Quinazoline derivatives as antitumor agents ABL1, TP53, JAK1 ERBB2 29/4885EGFR 117/4885SRC 93/4885
US-20230293533-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ABL1, TP53, JAK1 ERBB2 29/4885EGFR 117/4885SRC 93/4885

“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.