SCHEMBL95052

SCHEMBL95052

CCOc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1OCC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 1.00
ERBB2 P04626 19/20 1.00
GAK O14976 1/20 0.80
STK4 Q13043 1/20 0.61

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
SCHEMBL6380499 0.96 EGFR (1.00) EGFRERBB2GAK
SCHEMBL6379850 0.96 EGFR (1.00) EGFRERBB2GAK
SCHEMBL1897571 0.92 EGFR (0.85) EGFRERBB2GAKSTK4
SCHEMBL6383928 0.92 EGFR (0.85) EGFRERBB2GAK
SCHEMBL6384275 0.91 EGFR (0.83) EGFRERBB2GAK
SCHEMBL10324066 0.90 EGFR (0.82) EGFRERBB2GAK
SCHEMBL6381277 0.90 EGFR (1.00) EGFRERBB2GAK
SCHEMBL6381853 0.89 EGFR (1.00) EGFRERBB2GAK
SCHEMBL6380173 0.89 EGFR (1.00) EGFRERBB2GAK
SCHEMBL6383704 0.88 EGFR (0.78) EGFRERBB2STK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263503-B1 USE OF CYANOQUINOLINES FOR TREATING OR INHIBITING COLONIC POLYPS WYETH CORP (US) 2005-11-02 EP claimed
EP-0973746-B1 SUBSTITUTED 3-CYANO QUINOLINES WYETH CORP (US) 2003-09-24 EP claimed
CN-1121391-C Substituted 3-cyano quinolines AMERICAN CYANAMID CO (US) 2003-09-17 CN claimed
JP-2003526686-A 2003-09-09 JP claimed
CN-1429126-A Use of cyanoquinolines for treating or inhibiting colonic polyps AMERICAN CYANAMID CO (US) 2003-07-09 CN claimed
EP-1263503-A2 USE OF CYANOQUINOLINES FOR TREATING OR INHIBITING COLONIC POLYPS AMERICAN CYANAMID COMPANY (US) 2002-12-11 EP claimed
US-6384051-B1 ANTITUMOR AGENTS AMERICAN CYANAMID COMPANY 2002-05-07 US claimed
WO-2001068186-A2 USE OF CYANOQUINOLINES FOR TREATING OR INHIBITING COLONIC POLYPS AMERICAN CYANAMID COMPANY (US) 2001-09-20 WO claimed
US-6002008-A Substituted 3-cyano quinolines AMERICAN CYANAMID COMPANY 1999-12-14 US claimed
US-20150168424-A1 IGFBP2 Biomarker WANG YAN (US) 2015-06-18 US disclosed
US-20150168424-A1 IGFBP2 Biomarker WANG YAN (US) 2015-06-18 US disclosed
US-20130243692-A1 FDG-PET EVALUATION OF EWING'S SARCOMA SENSITIVITY MERCK SHARP & DOHME CORP. (US) 2013-09-19 US disclosed
US-20130243692-A1 FDG-PET EVALUATION OF EWING'S SARCOMA SENSITIVITY MERCK SHARP & DOHME CORP. (US) 2013-09-19 US disclosed
EP-2405270-B1 IGFBP2-Biomarker MERCK SHARP & DOHME (US) 2013-07-17 EP disclosed
US-6384051-B1 ANTITUMOR AGENTS AMERICAN CYANAMID COMPANY 2002-05-07 US disclosed
WO-2001068186-A2 USE OF CYANOQUINOLINES FOR TREATING OR INHIBITING COLONIC POLYPS AMERICAN CYANAMID COMPANY (US) 2001-09-20 WO disclosed
CN-1259125-A Substituted 3-cyanoquinolines AMERICAN CYANAMID CO (US) 2000-07-05 CN disclosed
EP-0973746-A1 SUBSTITUTED 3-CYANO QUINOLINES American Cyanamid Company (US) 2000-01-26 EP disclosed
US-6002008-A Substituted 3-cyano quinolines AMERICAN CYANAMID COMPANY 1999-12-14 US disclosed
WO-1998043960-A1 SUBSTITUTED 3-CYANO QUINOLINES AMERICAN CYANAMID COMPANY (US) 1998-10-08 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 (2 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-20150168424-A1 IGFBP2 Biomarker IGFBP2, IGFBP1, IGFBP5 EGFR 87/4885ERBB2 129/4885GAK 3346/4885
US-20130243692-A1 FDG-PET EVALUATION OF EWING'S SARCOMA SENSITIVITY IGF1R, IRS1, EWSR1 EGFR 144/4885ERBB2 297/4885GAK 2190/4885

“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.