SCHEMBL3472701

SCHEMBL3472701

C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCN(C2COC(=O)C2)CC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.75
ERBB2 P04626 6/20 0.75
ERBB4 Q15303 3/20 0.75
ERBB3 P21860 3/20 0.75
KIT P10721 2/20 0.75
SRC P12931 2/20 0.75
KDR P35968 2/20 0.75
BMPR1B O00238 1/20 0.75
CIT O14578 1/20 0.75
MAP2K7 O14733 1/20 0.75
GAK O14976 1/20 0.75
EPHB6 O15197 1/20 0.75
MAP3K7 O43318 1/20 0.75
RIPK2 O43353 1/20 0.75
STK17B O94768 1/20 0.75
STK10 O94804 1/20 0.75
ABL1 P00519 1/20 0.75
LCK P06239 1/20 0.75
FYN P06241 1/20 0.75
YES1 P07947 1/20 0.75

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
SCHEMBL7003518 0.98 EGFR (0.72) EGFRERBB2ERBB4ERBB3KIT
SCHEMBL6995990 0.97 EGFR (0.70) EGFRERBB2ERBB4ERBB3KIT
SCHEMBL7567845 0.91 EGFR (0.72) EGFRERBB2ERBB4ERBB3KIT
SCHEMBL7566274 0.91 EGFR (0.65) EGFRERBB2ERBB4ERBB3KIT
SCHEMBL3585133 0.87 EGFR (0.88) EGFRERBB2ERBB4ERBB3KIT
SCHEMBL7563385 0.86 EGFR (0.76) EGFRERBB2ERBB4ERBB3KIT
SCHEMBL3471800 0.86 EGFR (0.58) EGFRERBB2ERBB4ERBB3KIT
Canertinib SCHEMBL29368458 0.86 EGFR (1.00) EGFRERBB2ERBB4ERBB3KIT
Canertinib SCHEMBL29623482 0.86 EGFR (1.00) EGFRERBB2ERBB4ERBB3KIT
Canertinib SCHEMBL29655741 0.86 EGFR (1.00) EGFRERBB2ERBB4ERBB3KIT

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020082270-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-06-27 US claimed
US-20100310477-A1 Pharmaceutical compositions based on anticholingerics and additional active ingredients BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG. (DE) 2010-12-09 US disclosed
US-7776315-B2 Pharmaceutical compositions based on anticholinergics and additional active ingredients BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-08-17 US disclosed
US-20090306072-A1 USE OF TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF INFLAMMATORY PROCESSES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-12-10 US disclosed
EP-1478398-B1 NEW MEDICINAL COMPOSITIONS ON THE BASIS OF ANTICHOLINERGIC AGENTS AND EGFR KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (DE) 2009-05-06 EP disclosed
EP-1658860-A1 Drug compositions comprising anticholinergics and EGFR kinase inhibitors Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2006-05-24 EP disclosed
EP-1521595-B1 NOVEL DRUG COMPOSITIONS BASED ON NOVEL ANTICHOLINERGICS AND INHIBITORS OF EGFR-KINASE BOEHRINGER INGELHEIM PHARMA (DE) 2006-03-15 EP disclosed
US-20050165013-A1 Pharmaceutical compositions containing anticholinergics and EGFR kinase inhibitors BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-07-28 US disclosed
US-20050148562-A1 Pharmaceutical compositions based on anticholinergics and additional active ingredients BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-07-07 US disclosed
EP-1478398-A1 NEW MEDICINAL COMPOSITIONS ON THE BASIS OF ANTICHOLINERGIC AGENTS AND EGFR KINASE INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-11-24 EP disclosed
US-20040048887-A1 Pharmaceutical compositions based on anticholinergics and EGFR kinase inhibitors BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-11 US disclosed
US-20030158196-A1 Pharmaceutical compositions based on anticholinergics and EGFR kinase inhibitors BOEHRINGER INGELHEIM PHARMA GMBH CO. KG (DE) 2003-08-21 US disclosed
WO-2003068264-A1 NEW MEDICINAL COMPOSITIONS ON THE BASIS OF ANTICHOLINERGIC AGENTS AND EGFR KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO.KG (DE) 2003-08-21 WO disclosed
US-20030149062-A1 Use of tyrosine kinase inhibitors for the treatment of inflammatory processes BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-08-07 US disclosed
EP-1315716-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-06-04 EP disclosed
US-20020082270-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-06-27 US disclosed
WO-2002018370-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-03-07 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 (7 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-20090306072-A1 USE OF TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF INFLAMMATORY PROCESSES ERBB2, EGFR, ERBB4 EGFR 2/4885ERBB2 1/4885ERBB4 3/4885
US-20050165013-A1 Pharmaceutical compositions containing anticholinergics and EGFR kinase inhibitors CHRM3, EGFR, CHRM2 EGFR 2/4885ERBB2 4/4885ERBB4 15/4885
US-20050148562-A1 Pharmaceutical compositions based on anticholinergics and additional active ingredients CHRM3, ADRA2C, PDE3A EGFR 52/4885ERBB2 96/4885ERBB4 37/4885
US-20100310477-A1 Pharmaceutical compositions based on anticholingerics and additional active ingredients PDE4B, CHRM3, ADRA2C EGFR 43/4885ERBB2 75/4885ERBB4 22/4885
US-20020082270-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases MAP3K1, MAP3K19, MAP3K20 EGFR 165/4885ERBB2 28/4885ERBB4 58/4885
US-20030149062-A1 Use of tyrosine kinase inhibitors for the treatment of inflammatory processes ERBB2, EGFR, ERBB4 EGFR 2/4885ERBB2 1/4885ERBB4 3/4885
US-20040048887-A1 Pharmaceutical compositions based on anticholinergics and EGFR kinase inhibitors CHRM3, EGFR, ERBB2 EGFR 2/4885ERBB2 3/4885ERBB4 9/4885

“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.