SCHEMBL185140

SCHEMBL185140

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CC(=O)OC(C)(C)C1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.73
CIT O14578 1/20 0.67
GAK O14976 1/20 0.67
EPHB6 O15197 1/20 0.67
ABCC4 O15439 1/20 0.67
DAPK3 O43293 1/20 0.67
RIPK2 O43353 1/20 0.67
NR1I2 O75469 1/20 0.67
RPS6KA4 O75676 1/20 0.67
STK17B O94768 1/20 0.67
STK10 O94804 1/20 0.67
PRKD3 O94806 1/20 0.67
ABCB11 O95342 1/20 0.67
MAP4K4 O95819 1/20 0.67
CHEK2 O96017 1/20 0.67
ABL1 P00519 1/20 0.67
ERBB2 P04626 1/20 0.67
LCK P06239 1/20 0.67
LYN P07948 1/20 0.67
RET P07949 1/20 0.67

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
SCHEMBL1384741 1.00 EGFR (0.73) EGFRCITGAKEPHB6ABCC4
SCHEMBL29623584 1.00 EGFR (0.73) EGFRCITGAKEPHB6ABCC4
SCHEMBL1386069 0.96 EGFR (0.73) EGFRCITGAKEPHB6ABCC4
SCHEMBL1386402 0.96 EGFR (0.73) EGFRCITGAKEPHB6ABCC4
SCHEMBL1384221 0.91 EGFR (0.63) EGFRCITGAKEPHB6ABCC4
SCHEMBL1386500 0.91 EGFR (0.63) EGFRCITGAKEPHB6ABCC4
SCHEMBL7690931 0.91 EGFR (0.60) EGFRCITGAKEPHB6ABCC4
SCHEMBL1920704 0.91 KDR (0.64) EGFRCITGAKEPHB6ABCC4
SCHEMBL1920705 0.91 KDR (0.64) EGFRCITGAKEPHB6ABCC4
SCHEMBL1385131 0.90 EGFR (0.59) 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 730 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
EP-2346507-A1 USE OF QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES Boehringer Ingelheim International GmbH (DE) 2011-07-27 EP 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-2086641-A2 EGFR KINASE INHIBITOR COMBINATIONS FOR THE TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS Boehringer Ingelheim International GmbH (DE) 2009-08-12 EP claimed
US-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS JUNG BIRGIT 2009-01-15 US claimed
WO-2008049842-A2 EGFR KINASE INHIBITOR COMBINATIONS FOR THE TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-02 WO claimed
WO-2005102349-A1 PHARMACEUTICAL COMBINATIONS CONTAINING BENZOXAZINE FOR TREATING RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO 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
US-20050059661-A1 Use of tyrosine kinase inhibitors for the treatment of inflammatory processes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-03-17 US claimed
WO-2005011701-A1 USE OF QUINAZOLINE TYROSINE KINASE INHIBITORS IN THE TREATMENT OF INFLAMMATORY PROCESSES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-10 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
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 (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 EGFR 63/4885CIT 503/4885GAK 696/4885
US-20050203088-A1 Medicament combinations based on scopine- or tropene acid esters with EGFR-kinase inhibitors ERBB2, EGFR, ERBB3 EGFR 2/4885CIT 653/4885GAK 586/4885
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-20050239778-A1 Novel medicament combinations for the treatment of respiratory diseases MRGPRX2, MRGPRX1, MTNR1B EGFR 3691/4885CIT 4295/4885GAK 4053/4885
US-20020082271-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases MAP3K1, MAP3K19, MAP3K20 EGFR 137/4885CIT 432/4885GAK 205/4885

“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.