SCHEMBL2996153

SCHEMBL2996153

C=CC(=O)Nc1ccc2c(Nc3cccc(Br)c3)ncnc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 1.00
ERBB2 P04626 6/20 1.00
FYN P06241 2/20 0.84
SRC P12931 2/20 0.84
BLK P51451 1/20 0.84
BMX P51813 1/20 0.84
JAK3 P52333 1/20 0.84
BTK Q06187 1/20 0.84
ERBB4 Q15303 1/20 0.84
EPHB2 P29323 1/20 0.65

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
SCHEMBL2680536 0.91 EGFR (1.00) EGFRERBB2FYNSRCBLK
SCHEMBL29359583 0.91 EGFR (1.00) EGFRERBB2FYNSRCBLK
SCHEMBL5928094 0.88 SRC (0.82) EGFRERBB2FYNSRCBLK
SCHEMBL2998542 0.87 EGFR (0.85) EGFRERBB2FYNSRCBLK
SCHEMBL4193394 0.87 EGFR (1.00) EGFRERBB2FYNSRCBLK
SCHEMBL2998538 0.87 EGFR (0.85) EGFRERBB2FYNSRCBLK
SCHEMBL2994207 0.87 EGFR (1.00) EGFRERBB2FYNSRCBLK
SCHEMBL2988444 0.87 EGFR (1.00) EGFRERBB2FYNSRCBLK
SCHEMBL28762018 0.87 EGFR (0.88) EGFRERBB2FYNSRCBLK
SCHEMBL29717476 0.87 EGFR (0.88) EGFRERBB2FYNSRCBLK

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0892789-B2 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER LAMBERT CO (US) 2009-11-18 EP claimed
CN-100503580-C Irreversible inhibitors of tyrosine kinases WARNER LAMBERT CO (US) 2009-06-24 CN claimed
CN-1923818-A Irreversible inhibitors of tyrosine kinases WARNER LAMBERT CO (US) 2007-03-07 CN claimed
CN-1495172-A Irreversible inhibitors of tyrosine kinases ��ʲ 2004-05-12 CN claimed
CN-1145614-C Irreversible inhibitors of tyrosine kinases, their pharmaceutical use and pharmaceutical compositions ��ʲ 2004-04-14 CN claimed
US-20030229051-A1 Irreversible inhibitors of tyrosine kinases BRIDGES ALEXANDER JAMES (US) 2003-12-11 US claimed
CN-1370535-A Method of inhibiting skin damage of vitamin A analog WANER LONGBER CO (US) 2002-09-25 CN claimed
EP-0892789-B1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER LAMBERT CO (US) 2002-02-27 EP claimed
CN-1218456-A Irreversible inhibitors of tyrosine kinases WARNER LAMBERT CO (US) 1999-06-02 CN claimed
EP-0892789-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-01-27 EP claimed
WO-1997038983-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1997-10-23 WO claimed
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
WO-2009070328-A1 MODULATORS OF THE EPIDERMAL GROWTH FACTOR RECEPTOR (EGFR) PATHWAY FOR USE IN THE TREATMENT OR PREVENTION OF SUBSTANCE ABUSE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-06-04 WO 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 1/4885FYN 15/4885

“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.