SCHEMBL2995071

SCHEMBL2995071

C=CC(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cc1OCCCN1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 1.00
ERBB2 P04626 4/20 1.00
KIT P10721 2/20 0.74
SRC P12931 2/20 0.74
ERBB3 P21860 2/20 0.74
ERBB4 Q15303 2/20 0.74
KDR P35968 2/20 0.74
BMPR1B O00238 1/20 0.74
CIT O14578 1/20 0.74
MAP2K7 O14733 1/20 0.74
GAK O14976 1/20 0.74
EPHB6 O15197 1/20 0.74
MAP3K7 O43318 1/20 0.74
RIPK2 O43353 1/20 0.74
STK17B O94768 1/20 0.74
STK10 O94804 1/20 0.74
ABL1 P00519 1/20 0.74
LCK P06239 1/20 0.74
FYN P06241 1/20 0.74
YES1 P07947 1/20 0.74

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
SCHEMBL29519908 1.00 EGFR (1.00) EGFRERBB2KITSRCERBB3
SCHEMBL14356869 0.92 EGFR (1.00) EGFRERBB2KITSRCERBB3
SCHEMBL2989664 0.91 EGFR (1.00) EGFRERBB2KITSRCERBB3
SCHEMBL3261578 0.91 EGFR (0.84) EGFRERBB2KITSRCERBB3
SCHEMBL1418236 0.91 EGFR (0.83) EGFRERBB2KITSRCERBB3
SCHEMBL1417787 0.90 EGFR (0.86) EGFRERBB2KITSRCERBB3
SCHEMBL27454763 0.90 EGFR (0.81) EGFRERBB2KITSRCERBB3
SCHEMBL15876950 0.89 EGFR (0.80) EGFRERBB2KITSRCERBB3
SCHEMBL2950738 0.89 EGFR (0.80) EGFRERBB2KITSRCERBB3
SCHEMBL2950938 0.89 EGFR (0.80) EGFRERBB2KITSRCERBB3

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
US-20040198752-A1 ADMINISTERING RETINOIDS WITH EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITORS ELDER JAMES T (US) 2004-10-07 US claimed
US-20030229051-A1 Irreversible inhibitors of tyrosine kinases BRIDGES ALEXANDER JAMES (US) 2003-12-11 US claimed
US-20020169176-A1 Method for inhibiting retinoid skin damage ELDER JAMES T (US) 2002-11-14 US claimed
CN-1370535-A Method of inhibiting skin damage of vitamin A analog WANER LONGBER CO (US) 2002-09-25 CN claimed
EP-1230919-A2 Use of a composition comprising a retinoid and an erb inhibitor in the preparation of a medicament for the treatment of retinoid skin damage WARNER-LAMBERT COMPANY (US) 2002-08-14 EP claimed
EP-0892789-B1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER LAMBERT CO (US) 2002-02-27 EP claimed
US-6344459-B1 TREATING CANCER, RESTENOSIS, ATHEROSCLEROSIS, ENDOMETRIOSIS, AND PSORIASIS WARNER-LAMBERT COMPANY 2002-02-05 US 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
EP-1411993-A4 RADIOLABELED IRREVERSIBLE INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE AND THEIR USE IN RADIOIMAGING AND RADIOTHERAPY YISSUM RES DEV CO (IL) 2007-08-01 EP disclosed
CN-1923818-A Irreversible inhibitors of tyrosine kinases WARNER LAMBERT CO (US) 2007-03-07 CN disclosed
EP-1131304-A1 N- 4-(3-CHLORO-4-FLUORO-PHENYLAMINO)-7-(3-MORPHOLIN-4-YL-PROPOXY)-QUINAZOLIN-6-YL]-ACRYLAMIDE, AN IRREVERSIBLE INHIBITOR OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 2001-09-12 EP disclosed
WO-2000031048-A1 N-[4-(3-CHLORO-4-FLUORO-PHENYLAMINO)-7-(3-MORPHOLIN-4-YL-PROPOXY)-QUINAZOLIN-6-YL]-ACRYLAMIDE, AN IRREVERSIBLE INHIBITOR OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 2000-06-02 WO 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 (3 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-20020169176-A1 Method for inhibiting retinoid skin damage RARB, EBP, RXRA EGFR 47/4885ERBB2 183/4885KIT 3869/4885
US-20040198752-A1 ADMINISTERING RETINOIDS WITH EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITORS EGFR, RARB, RXRA EGFR 1/4885ERBB2 23/4885KIT 3294/4885
US-20030229051-A1 Irreversible inhibitors of tyrosine kinases ERBB2, ERBB3, LCK EGFR 26/4885ERBB2 1/4885KIT 1498/4885

“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.