SCHEMBL186516

SCHEMBL186516

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CC(=O)O[C@@H](C)C1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.73
CIT O14578 1/20 0.65
GAK O14976 1/20 0.65
EPHB6 O15197 1/20 0.65
ABCC4 O15439 1/20 0.65
DAPK3 O43293 1/20 0.65
RIPK2 O43353 1/20 0.65
NR1I2 O75469 1/20 0.65
RPS6KA4 O75676 1/20 0.65
STK17B O94768 1/20 0.65
STK10 O94804 1/20 0.65
PRKD3 O94806 1/20 0.65
ABCB11 O95342 1/20 0.65
MAP4K4 O95819 1/20 0.65
CHEK2 O96017 1/20 0.65
ABL1 P00519 1/20 0.65
ERBB2 P04626 1/20 0.65
LCK P06239 1/20 0.65
LYN P07948 1/20 0.65
RET P07949 1/20 0.65

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
SCHEMBL29623456 1.00 EGFR (0.73) EGFRCITGAKEPHB6ABCC4
SCHEMBL206653 1.00 EGFR (0.73) EGFRCITGAKEPHB6ABCC4
SCHEMBL29623540 1.00 EGFR (0.73) EGFRCITGAKEPHB6ABCC4
SCHEMBL6990366 1.00 EGFR (0.73) EGFRCITGAKEPHB6ABCC4
SCHEMBL1383708 1.00 EGFR (0.73) EGFRCITGAKEPHB6ABCC4
SCHEMBL6987775 0.96 EGFR (0.73) EGFRCITGAKEPHB6ABCC4
SCHEMBL7219510 0.96 EGFR (0.73) EGFRCITGAKEPHB6ABCC4
SCHEMBL6987341 0.96 EGFR (0.73) EGFRCITGAKEPHB6ABCC4
SCHEMBL6994030 0.96 EGFR (0.73) EGFRCITGAKEPHB6ABCC4
SCHEMBL6990969 0.96 EGFR (0.70) EGFRCITGAKEPHB6ABCC4

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 861 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
JP-4834282-B2 2011-12-14 JP claimed
US-20110281860-A1 USE OF QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-17 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 claimed
US-20100099651-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 US claimed
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 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-1478398-B1 NEW MEDICINAL COMPOSITIONS ON THE BASIS OF ANTICHOLINERGIC AGENTS AND EGFR KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (DE) 2009-05-06 EP claimed
US-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS JUNG BIRGIT 2009-01-15 US claimed
EP-1845992-A1 USE OF TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CHRONIC RHINOSINUSITIS Boehringer Ingelheim International GmbH (DE) 2007-10-24 EP claimed
US-20040048887-A1 Pharmaceutical compositions based on anticholinergics and EGFR kinase inhibitors BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-11 US claimed
WO-2004004775-A1 NOVEL DRUG COMPOSITIONS BASED ON NOVEL ANTICHOLINERGICS AND INHIBITORS OF EGFR-KINASE BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-15 WO claimed
US-6656946-B2 For treating diseases, particularly tumoral diseases, diseases of the lungs and respiratory tract BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-12-02 US claimed
US-20030158196-A1 Pharmaceutical compositions based on anticholinergics and EGFR kinase inhibitors BOEHRINGER INGELHEIM PHARMA GMBH CO. KG (DE) 2003-08-21 US claimed
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 claimed
WO-2003066060-A2 USE OF TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF INFLAMMATORY PROCESSES BOEHRINGER INGELHEIM PHARMA GMBH & CO.KG (DE) 2003-08-14 WO claimed
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 claimed
EP-1315705-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM ZENTRALE GMBH (DE) 2003-06-04 EP claimed
US-20020082271-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-06-27 US claimed
WO-2002018351-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 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 (8 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 2/4885CIT 1013/4885GAK 699/4885
US-20100099651-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BDKRB2, GRK5, PRKCH EGFR 63/4885CIT 503/4885GAK 696/4885
US-20110281860-A1 USE OF QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES EGFR, ERBB4, GRK5 EGFR 1/4885CIT 205/4885GAK 680/4885
US-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BDKRB2, EDNRB, GRK5 EGFR 53/4885CIT 628/4885GAK 749/4885
US-20100310477-A1 Pharmaceutical compositions based on anticholingerics and additional active ingredients PDE4B, CHRM3, ADRA2C EGFR 43/4885CIT 428/4885GAK 436/4885
US-20030149062-A1 Use of tyrosine kinase inhibitors for the treatment of inflammatory processes ERBB2, EGFR, ERBB4 EGFR 2/4885CIT 1946/4885GAK 1286/4885
US-20020082271-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases MAP3K1, MAP3K19, MAP3K20 EGFR 137/4885CIT 432/4885GAK 205/4885
US-20040048887-A1 Pharmaceutical compositions based on anticholinergics and EGFR kinase inhibitors CHRM3, EGFR, ERBB2 EGFR 2/4885CIT 221/4885GAK 136/4885

“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.