SCHEMBL185763

SCHEMBL185763

CC1(C)CN(CCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC[C@H]2CCCO2)CC(=O)O1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.59
EPHA2 P29317 4/20 0.59
EPHB4 P54760 3/20 0.59
EGFR P00533 16/20 0.58
ERBB2 P04626 2/20 0.54
CIT O14578 1/20 0.54
GAK O14976 1/20 0.54
EPHB6 O15197 1/20 0.54
ABCC4 O15439 1/20 0.54
DAPK3 O43293 1/20 0.54
RIPK2 O43353 1/20 0.54
NR1I2 O75469 1/20 0.54
RPS6KA4 O75676 1/20 0.54
STK17B O94768 1/20 0.54
STK10 O94804 1/20 0.54
PRKD3 O94806 1/20 0.54
ABCB11 O95342 1/20 0.54
MAP4K4 O95819 1/20 0.54
CHEK2 O96017 1/20 0.54
ABL1 P00519 1/20 0.54

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
SCHEMBL29623444 1.00 KDR (0.59) KDREPHA2EPHB4EGFRERBB2
SCHEMBL232029 1.00 KDR (0.59) KDREPHA2EPHB4EGFRERBB2
SCHEMBL29623758 1.00 KDR (0.59) KDREPHA2EPHB4EGFRERBB2
SCHEMBL186044 1.00 KDR (0.59) KDREPHA2EPHB4EGFRERBB2
SCHEMBL29623447 1.00 KDR (0.59) KDREPHA2EPHB4EGFRERBB2
SCHEMBL185292 1.00 KDR (0.59) KDREPHA2EPHB4EGFRERBB2
SCHEMBL210419 1.00 KDR (0.59) KDREPHA2EPHB4EGFRERBB2
SCHEMBL1920704 0.97 KDR (0.64) KDREPHA2EPHB4EGFRERBB2
SCHEMBL1920705 0.97 KDR (0.64) KDREPHA2EPHB4EGFRERBB2
SCHEMBL7226582 0.97 EGFR (0.59) KDREPHA2EPHB4EGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS JUNG BIRGIT 2009-01-15 US claimed
EP-1901776-A1 NOVEL MEDICINAL COMBINATIONS WHICH ARE USED FOR TREATING RESPIRATORY TRACT DISEASES AND CONTAIN BETA-2 LONG-ACTING AGONISTS AND AT LEAST ONE OTHER TYPE OF ACTIVE SUBSTANCE Boehringer Ingelheim International GmbH (DE) 2008-03-26 EP 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
JP-2007517819-A 2007-07-05 JP claimed
EP-1781298-A1 PHARMACEUTICAL COMBINATIONS CONTAINING BENZOXAZINE FOR TREATING RESPIRATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2007-05-09 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-1651228-A1 USE OF QUINAZOLINE TYROSINE KINASE INHIBITORS IN THE TREATMENT OF INFLAMMATORY PROCESSES Boehringer Ingelheim International GmbH (DE) 2006-05-03 EP claimed
US-20060035893-A1 Pharmaceutical compositions for treatment of respiratory and gastrointestinal disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-16 US 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

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 KDR 604/4885EPHA2 179/4885EPHB4 182/4885
US-20050203088-A1 Medicament combinations based on scopine- or tropene acid esters with EGFR-kinase inhibitors ERBB2, EGFR, ERBB3 KDR 688/4885EPHA2 62/4885EPHB4 218/4885
US-20110281860-A1 USE OF QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES EGFR, ERBB4, GRK5 KDR 838/4885EPHA2 604/4885EPHB4 473/4885
US-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BDKRB2, EDNRB, GRK5 KDR 436/4885EPHA2 179/4885EPHB4 195/4885
US-20050239778-A1 Novel medicament combinations for the treatment of respiratory diseases MRGPRX2, MRGPRX1, MTNR1B KDR 4444/4885EPHA2 1772/4885EPHB4 2716/4885
US-20060035893-A1 Pharmaceutical compositions for treatment of respiratory and gastrointestinal disorders BDKRB2, EDNRB, GRK5 KDR 436/4885EPHA2 179/4885EPHB4 195/4885

“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.