SCHEMBL2986298

SCHEMBL2986298

Nc1ccc2c(Nc3cccc(Br)c3)ncnc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 1.00
ERBB2 P04626 1/20 0.80
ABCG2 Q9UNQ0 1/20 0.72
EPHB2 P29323 1/20 0.72
FBP1 P09467 2/20 0.69

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
SCHEMBL1417740 0.89 EGFR (1.00) EGFRERBB2ABCG2FBP1
SCHEMBL31060998 0.89 EGFR (1.00) EGFRERBB2ABCG2FBP1
SCHEMBL29608178 0.86 EGFR (1.00) EGFRERBB2ABCG2EPHB2FBP1
SCHEMBL7221302 0.86 EGFR (1.00) EGFRERBB2ABCG2EPHB2FBP1
SCHEMBL2995056 0.85 EGFR (0.74) EGFRABCG2EPHB2FBP1
SCHEMBL2992623 0.84 EGFR (1.00) EGFRERBB2ABCG2EPHB2FBP1
SCHEMBL18349244 0.84 EGFR (0.73) EGFRERBB2EPHB2
SCHEMBL18996629 0.84 EGFR (1.00) EGFRERBB2ABCG2
SCHEMBL2986222 0.84 EGFR (1.00) EGFRERBB2
SCHEMBL2101971 0.83 EGFR (0.80) 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 28 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-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
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
US-20080019907-A1 Optical Imaging Contrast Agents KLAVENESS JO 2008-01-24 US disclosed
US-20080019907-A1 Optical Imaging Contrast Agents KLAVENESS JO 2008-01-24 US disclosed
US-20070212305-A1 Optical Imaging Contrast Agents For Imaging Lung Cancer AMERSHAM HEALTH AS (NO) 2007-09-13 US disclosed
US-20070212305-A1 Optical Imaging Contrast Agents For Imaging Lung Cancer AMERSHAM HEALTH AS (NO) 2007-09-13 US disclosed
CN-1370535-A Method of inhibiting skin damage of vitamin A analog WANER LONGBER CO (US) 2002-09-25 CN disclosed
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 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 (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-20080019907-A1 Optical Imaging Contrast Agents PCSK9, APOL1, APOB EGFR 2035/4885ERBB2 3420/4885ABCG2 2238/4885
US-20070212305-A1 Optical Imaging Contrast Agents For Imaging Lung Cancer IQGAP1, AQP3, ROCK1 EGFR 88/4885ERBB2 1883/4885ABCG2 4080/4885
US-20030229051-A1 Irreversible inhibitors of tyrosine kinases ERBB2, ERBB3, LCK EGFR 26/4885ERBB2 1/4885ABCG2 663/4885

“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.