SCHEMBL2989673

SCHEMBL2989673

C=CC(=O)Nc1cc2c(Nc3cccc(C)c3)ncnc2cc1OC(CC)N1CCOCC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.72
▸ ERBB2 P04626 6/20 0.60
▸ SRC P12931 3/20 0.53
▸ KIT P10721 2/20 0.53
▸ ERBB3 P21860 2/20 0.53
▸ ERBB4 Q15303 2/20 0.53
▸ KDR P35968 2/20 0.53
▸ BMPR1B O00238 1/20 0.53
▸ CIT O14578 1/20 0.53
▸ MAP2K7 O14733 1/20 0.53
▸ GAK O14976 1/20 0.53
▸ EPHB6 O15197 1/20 0.53
▸ MAP3K7 O43318 1/20 0.53
▸ RIPK2 O43353 1/20 0.53
▸ STK17B O94768 1/20 0.53
▸ STK10 O94804 1/20 0.53
▸ ABL1 P00519 1/20 0.53
▸ LCK P06239 1/20 0.53
▸ FYN P06241 1/20 0.53
▸ YES1 P07947 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
SCHEMBL2996285 0.92 EGFR (0.71) EGFRERBB2SRCKITERBB3
SCHEMBL2989664 0.84 EGFR (1.00) EGFRERBB2SRCKITERBB3
SCHEMBL2991327 0.83 EGFR (0.53) EGFRERBB2SRCKDRRET
SCHEMBL7847668 0.82 EGFR (0.66) EGFRERBB2SRCERBB4KDR
SCHEMBL2985880 0.81 FBP1 (0.54) EGFRSRCKDRBRAF
SCHEMBL7057985 0.78 EGFR (1.00) EGFRERBB2SRCKITERBB3
SCHEMBL26055531 0.77 EGFR (0.85) EGFRERBB2SRCKITERBB3
SCHEMBL26055582 0.76 EGFR (0.81) EGFRERBB2SRCKITERBB3
SCHEMBL1418291 0.76 EGFR (0.84) EGFRERBB2SRCKITERBB3
SCHEMBL26055584 0.76 EGFR (0.73) EGFRERBB2SRCKITERBB3

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 26/4885ERBB2 1/4885SRC 8/4885

“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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