SCHEMBL2988532

SCHEMBL2988532

Cc1cccc(Nc2ncnc3cc(F)c([N+](=O)[O-])cc23)c1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 15/20 0.59
▸ ERBB2 P04626 2/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ FBP1 P09467 1/20 0.56
▸ HTT P42858 1/20 0.55
▸ HIF1A Q16665 1/20 0.55
▸ ABCG2 Q9UNQ0 1/20 0.53

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
SCHEMBL26321 0.87 EGFR (0.64) EGFRERBB2MAPK1FBP1HTT
SCHEMBL1418279 0.87 EGFR (0.77) EGFRFBP1
SCHEMBL7811124 0.87 EGFR (0.77) EGFRERBB2MAPK1FBP1HTT
SCHEMBL6506351 0.87 EGFR (0.67) EGFRERBB2MAPK1FBP1HTT
SCHEMBL4968393 0.87 EGFR (0.67) EGFRERBB2FBP1ABCG2
Hydrochloric Acid SCHEMBL7809280 0.86 EGFR (0.75) EGFRERBB2MAPK1FBP1HTT
SCHEMBL8315497 0.86 EGFR (0.79) EGFRERBB2MAPK1FBP1HTT
SCHEMBL8088219 0.85 EGFR (0.79) EGFRERBB2MAPK1FBP1HIF1A
SCHEMBL8871114 0.85 EGFR (0.59) EGFRERBB2MAPK1FBP1HTT
SCHEMBL29614991 0.84 EGFR (0.58) EGFRERBB2FBP1ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016023217-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 安润医药科技(苏州)有限公司 2016-02-18 — — WO disclosed
US-7786131-B2 Anticancer agents; restenosis; atherosclerosis; skin disorders WARNER-LAMBERT COMPANY (US) 2010-08-31 — — US disclosed
EP-0892789-B2 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER LAMBERT CO (US) 2009-11-18 — — EP disclosed
US-20030229051-A1 Irreversible inhibitors of tyrosine kinases BRIDGES ALEXANDER JAMES (US) 2003-12-11 — — US disclosed
US-6602863-B1 Irreversible inhibitors of tyrosine kinases WARNER-LAMBERT COMPANY 2003-08-05 — — US disclosed
EP-0892789-B1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER LAMBERT CO (US) 2002-02-27 — — EP disclosed
US-6344459-B1 TREATING CANCER, RESTENOSIS, ATHEROSCLEROSIS, ENDOMETRIOSIS, AND PSORIASIS WARNER-LAMBERT COMPANY 2002-02-05 — — US disclosed
EP-0635498-B1 Quinazoline derivatives and their use as anti-cancer agents SYNGENTA LTD (GB) 2001-04-18 — — EP disclosed
EP-0892789-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-01-27 — — EP disclosed
WO-1997038983-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1997-10-23 — — WO disclosed
US-5475001-A Quinazoline derivatives ZENECA LIMITED (GB) 1995-12-12 — — US disclosed
WO-1995003283-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS ANTI-CANCER AGENTS ZENECA LIMITED (GB) 1995-02-02 — — WO disclosed
EP-0635498-A1 Quinazoline derivatives and their use as anti-cancer agents ZENECA LIMITED (GB) 1995-01-25 — — EP 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 (1 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-20030229051-A1 Irreversible inhibitors of tyrosine kinases ERBB2, ERBB3, LCK EGFR 26/4885ERBB2 1/4885MAPK1 232/4885

“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.

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