SCHEMBL2991319

SCHEMBL2991319

Cc1cccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(N)cc23)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.71
KDR P35968 4/20 0.71
BRAF P15056 2/20 0.71
SRC P12931 5/20 0.68
ERBB2 P04626 2/20 0.58
CIT O14578 1/20 0.58
GAK O14976 1/20 0.58
EPHB6 O15197 1/20 0.58
ABCC4 O15439 1/20 0.58
DAPK3 O43293 1/20 0.58
RIPK2 O43353 1/20 0.58
NR1I2 O75469 1/20 0.58
RPS6KA4 O75676 1/20 0.58
STK17B O94768 1/20 0.58
STK10 O94804 1/20 0.58
PRKD3 O94806 1/20 0.58
ABCB11 O95342 1/20 0.58
MAP4K4 O95819 1/20 0.58
CHEK2 O96017 1/20 0.58
ABL1 P00519 1/20 0.58

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
SCHEMBL4594191 0.90 SRC (0.66) EGFRKDRBRAFSRCERBB2
SCHEMBL2998290 0.90 EGFR (0.70) EGFRKDRSRCERBB2
SCHEMBL5369287 0.90 SRC (0.65) EGFRKDRBRAFSRCERBB2
SCHEMBL2985878 0.86 EGFR (0.68) EGFRKDRBRAFSRCERBB2
SCHEMBL8870721 0.85 EGFR (0.79) EGFRKDRBRAFSRCERBB2
SCHEMBL25371138 0.83 SRC (0.60) EGFRKDRBRAFSRCERBB2
SCHEMBL12694392 0.83 EGFR (1.00) EGFRKDRBRAFSRCLCK
SCHEMBL2963866 0.83 EGFR (0.80) EGFRKDRBRAFSRCERBB2
SCHEMBL2989664 0.82 EGFR (1.00) EGFRKDRBRAFSRCERBB2
SCHEMBL29944978 0.82 EGFR (0.68) EGFRKDRBRAFSRCERBB2

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 8 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
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-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 26/4885KDR 152/4885BRAF 32/4885

“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.