SCHEMBL185543

SCHEMBL185543

C#Cc1cccc(Nc2ncnc3cc(OC)c(OC4CCNCC4)cc23)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.75
GAK O14976 3/20 0.75
FBP1 P09467 2/20 0.75
ALDH1A1 P00352 1/20 0.75
MAPT P10636 1/20 0.75
ABCG2 Q9UNQ0 2/20 0.63
ERBB2 P04626 6/20 0.61
KDR P35968 4/20 0.61
RET P07949 3/20 0.61
ILK Q13418 2/20 0.61
RIPK2 O43353 2/20 0.61
BUB1 O43683 2/20 0.61
STK10 O94804 2/20 0.61
ABL1 P00519 2/20 0.61
LCK P06239 2/20 0.61
LYN P07948 2/20 0.61
SRC P12931 2/20 0.61
FGFR2 P21802 2/20 0.61
FECH P22830 2/20 0.61
FLT3 P36888 2/20 0.61

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
SCHEMBL29623603 1.00 EGFR (0.75) EGFRGAKFBP1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL1446303 0.99 EGFR (0.74) EGFRGAKFBP1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL4085852 0.99 EGFR (0.74) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL14489978 0.91 FBP1 (0.76) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL14489979 0.91 EGFR (0.77) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL14489989 0.89 EGFR (0.75) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL14489992 0.89 EGFR (0.75) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL209715 0.89 EGFR (0.75) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL14489986 0.89 EGFR (0.74) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL29623521 0.89 EGFR (0.74) EGFRGAKFBP1ALDH1A1MAPT

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
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-1682147-B1 USE OF TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF INFLAMMATORY PROCESSES BOEHRINGER INGELHEIM INT (DE) 2009-10-07 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
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
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
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 EGFR 63/4885GAK 696/4885FBP1 3296/4885
US-20050203088-A1 Medicament combinations based on scopine- or tropene acid esters with EGFR-kinase inhibitors ERBB2, EGFR, ERBB3 EGFR 2/4885GAK 586/4885FBP1 4057/4885
US-20110281860-A1 USE OF QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES EGFR, ERBB4, GRK5 EGFR 1/4885GAK 680/4885FBP1 3458/4885
US-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BDKRB2, EDNRB, GRK5 EGFR 53/4885GAK 749/4885FBP1 3050/4885
US-20050239778-A1 Novel medicament combinations for the treatment of respiratory diseases MRGPRX2, MRGPRX1, MTNR1B EGFR 3691/4885GAK 4053/4885FBP1 2460/4885
US-20060035893-A1 Pharmaceutical compositions for treatment of respiratory and gastrointestinal disorders BDKRB2, EDNRB, GRK5 EGFR 53/4885GAK 749/4885FBP1 3050/4885

“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.