SCHEMBL3001591

SCHEMBL3001591

O=C(CCN1CCOCC1)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 1.00
ERBB2 P04626 4/20 0.73

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
SCHEMBL7214801 0.86 EGFR (0.85) EGFRERBB2
SCHEMBL6587145 0.84 EGFR (1.00) EGFRERBB2
SCHEMBL7214671 0.84 EGFR (0.82) EGFRERBB2
SCHEMBL8781957 0.84 EGFR (0.88) EGFRERBB2
SCHEMBL30115350 0.84 EGFR (1.00) EGFRERBB2
SCHEMBL867825 0.84 EGFR (1.00) EGFRERBB2
SCHEMBL867824 0.84 EGFR (1.00) EGFRERBB2
SCHEMBL7216113 0.84 EGFR (0.81) EGFRERBB2
SCHEMBL27572603 0.83 EGFR (0.79) EGFRERBB2
SCHEMBL2994255 0.83 EGFR (0.83) EGFRERBB2

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
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
CN-100503580-C Irreversible inhibitors of tyrosine kinases WARNER LAMBERT CO (US) 2009-06-24 CN disclosed
CN-1923818-A Irreversible inhibitors of tyrosine kinases WARNER LAMBERT CO (US) 2007-03-07 CN disclosed
CN-1495172-A Irreversible inhibitors of tyrosine kinases ��ʲ 2004-05-12 CN disclosed
CN-1145614-C Irreversible inhibitors of tyrosine kinases, their pharmaceutical use and pharmaceutical compositions ��ʲ 2004-04-14 CN 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
CN-1218456-A Irreversible inhibitors of tyrosine kinases WARNER LAMBERT CO (US) 1999-06-02 CN 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

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 1/4885

“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.