SCHEMBL227415

SCHEMBL227415

CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC1CCN(S(C)(=O)=O)CC1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.68
EGFR P00533 18/20 0.68
ERBB2 P04626 2/20 0.63
AURKA O14965 1/20 0.55
INSR P06213 1/20 0.55
PDGFRB P09619 1/20 0.55
FLT4 P35916 1/20 0.55
KDR P35968 1/20 0.55
CLK1 P49759 1/20 0.55
EPHB4 P54760 1/20 0.55
TEK Q02763 1/20 0.55
AURKB Q96GD4 1/20 0.55

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
SCHEMBL29623455 1.00 FBP1 (0.68) FBP1EGFRERBB2AURKAINSR
SCHEMBL2762886 0.95 EGFR (0.64) FBP1EGFRERBB2
SCHEMBL118997 0.92 EGFR (0.80) FBP1EGFRERBB2AURKAINSR
SCHEMBL29623442 0.92 EGFR (0.80) FBP1EGFRERBB2AURKAINSR
SCHEMBL186330 0.92 EGFR (0.67) EGFRERBB2
SCHEMBL29623474 0.92 EGFR (0.67) EGFRERBB2
SCHEMBL1446584 0.89 EGFR (0.84) FBP1EGFRERBB2AURKAINSR
SCHEMBL12743121 0.88 EGFR (0.79) FBP1EGFRERBB2AURKAINSR
SCHEMBL1446465 0.87 EGFR (0.78) FBP1EGFRERBB2AURKAINSR
SCHEMBL1446468 0.87 EGFR (0.78) FBP1EGFRERBB2AURKAINSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016025641-A1 COMBINATIONS OF AN ERK INHIBITOR AND AN EGFR INHIBITOR AND RELATED METHODS CELGENE AVILOMICS RESEARCH, INC. (US) 2016-02-18 WO claimed
US-8343982-B2 Bicyclic heterocyclic compounds pharmaceutical compositions containing these compounds, their use and process for preparing the same BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-01-01 US claimed
US-20110281860-A1 USE OF QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-17 US claimed
EP-2346507-A1 USE OF QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES Boehringer Ingelheim International GmbH (DE) 2011-07-27 EP claimed
US-20110077246-A1 BICYCLIC HETEROCYCLIC COMPOUNDS PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA GMBH & CO. (DE) 2011-03-31 US claimed
US-7910731-B2 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2011-03-22 US claimed
US-20100099651-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 US claimed
WO-2010026029-A1 USE OF QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO claimed
EP-2116245-A2 EGFR kinase inhibitor combinations for treating respiratory and gastrointestinal disorders Boehringer Ingelheim International GmbH (DE) 2009-11-11 EP claimed
EP-1682147-B1 USE OF TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF INFLAMMATORY PROCESSES BOEHRINGER INGELHEIM INT (DE) 2009-10-07 EP claimed
US-20060178364-A1 Use of EGFR tyrosinkinase inhibitors for treatment of chronic rhinosinusitis BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-08-10 US claimed
WO-2006082129-A1 USE OF TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CHRONIC RHINOSINUSITIS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-08-10 WO claimed
EP-1682147-A1 USE OF TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF INFLAMMATORY PROCESSES Boehringer Ingelheim International GmbH (DE) 2006-07-26 EP claimed
WO-2006015775-A2 EGFR KINASE INHIBITOR COMBINATIONS FOR TREATING RESPIRATORY AND GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-16 WO claimed
US-20060035893-A1 Pharmaceutical compositions for treatment of respiratory and gastrointestinal disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-16 US claimed
US-20050239778-A1 Novel medicament combinations for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2005-10-27 US claimed
US-20050203088-A1 Medicament combinations based on scopine- or tropene acid esters with EGFR-kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 US claimed
WO-2005065687-A1 NOVEL PHARMACEUTICAL COMBINATIONS CONTAINING SCOPINE OR TROPIC ACID ESTERS AND EGFR-KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-07-21 WO claimed
WO-2005041973-A1 USE OF TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF INFLAMMATORY PROCESSES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-05-12 WO claimed
US-20050096332-A1 Use of tyrosine kinase inhibitors for the treatment of inflammatory processes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-05-05 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20100099651-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BDKRB2, GRK5, PRKCH FBP1 3296/4885EGFR 63/4885ERBB2 27/4885
US-20050203088-A1 Medicament combinations based on scopine- or tropene acid esters with EGFR-kinase inhibitors ERBB2, EGFR, ERBB3 FBP1 4057/4885EGFR 2/4885ERBB2 1/4885
US-20110281860-A1 USE OF QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES EGFR, ERBB4, GRK5 FBP1 3458/4885EGFR 1/4885ERBB2 7/4885
US-20110077246-A1 BICYCLIC HETEROCYCLIC COMPOUNDS PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR PREPARING THE SAME CYP11B2, CYP11B1, PKD1 FBP1 1224/4885EGFR 1254/4885ERBB2 1199/4885
US-20050239778-A1 Novel medicament combinations for the treatment of respiratory diseases MRGPRX2, MRGPRX1, MTNR1B FBP1 2460/4885EGFR 3691/4885ERBB2 2317/4885
US-20060035893-A1 Pharmaceutical compositions for treatment of respiratory and gastrointestinal disorders BDKRB2, EDNRB, GRK5 FBP1 3050/4885EGFR 53/4885ERBB2 29/4885

“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.