SCHEMBL4235751

SCHEMBL4235751

CC(=O)Oc1cc2ncnc(Cl)c2cc1OC1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 2/20 0.47
EPHA2 P29317 1/20 0.47
KDR P35968 1/20 0.47
ENPP1 P22413 2/20 0.42
EGFR P00533 11/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
KMO O15229 2/20 0.39
ERBB2 P04626 8/20 0.39
RIPK2 O43353 1/20 0.37
RET P07949 1/20 0.37
MET P08581 1/20 0.37
EPHB2 P29323 1/20 0.37
TEC P42680 1/20 0.37
EPHA4 P54764 1/20 0.37
BTK Q06187 1/20 0.37
KCNH2 Q12809 1/20 0.37
TNK1 Q13470 1/20 0.37
RIPK3 Q9Y572 1/20 0.37

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
SCHEMBL5231086 0.87 EPHA2 (0.43) EPHB4EPHA2KDREGFRSAE1
SCHEMBL1999978 0.86 ENPP1 (0.54) KDRENPP1EGFR
SCHEMBL6984548 0.85 ERBB2 (0.49) EPHB4EPHA2KDREGFRERBB2
SCHEMBL7218840 0.85 ERBB2 (0.49) EPHB4EPHA2KDREGFRERBB2
SCHEMBL5226819 0.84 KDR (0.48) EPHB4EPHA2KDRENPP1EGFR
SCHEMBL1527928 0.83 EGFR (0.45) EPHB4EGFRERBB2RIPK2RET
SCHEMBL5231792 0.81 ENPP1 (0.48) EPHB4EPHA2KDRENPP1EGFR
SCHEMBL3427630 0.81 ENPP1 (0.63) KDRENPP1EGFRRIPK2RET
SCHEMBL8777 0.81 ENPP1 (0.63) KDRENPP1EGFRRIPK2RET
Hydrochloric Acid SCHEMBL9097 0.80 ENPP1 (0.62) KDRENPP1EGFRRET

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203683-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, THEIR USE, AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-08-13 US disclosed
EP-1315718-B1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA (DE) 2007-11-28 EP disclosed
US-20060063752-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-03-23 US disclosed
EP-1163227-B1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA (DE) 2005-09-28 EP disclosed
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 disclosed
US-6617329-B2 Administering a therapeutically effective amount of aminoquinozoline compound to treat benign or malignant tumour, a disease of the respiratory tract or lungs, polyps, kidney or skin disease and a disease of gastrointestinal tract BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-09-09 US disclosed
EP-1315718-A1 BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-06-04 EP disclosed
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 disclosed
US-20020177601-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-28 US disclosed
US-20020082271-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-06-27 US disclosed
US-20020049197-A1 Aminoquinazolines and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-04-25 US disclosed
WO-2002018372-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 disclosed
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 disclosed
EP-1163227-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, AND PROCESSES FOR PREPARING THEM Boehringer Ingelheim Pharma KG (DE) 2001-12-19 EP disclosed
WO-2000055141-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-21 WO disclosed

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

For each of this compound's patents that has machine-readable text (5 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-20020049197-A1 Aminoquinazolines and their use as medicaments JAK1, ABL1, JAK2 EPHB4 3011/4885EPHA2 1601/4885KDR 717/4885
US-20090203683-A1 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, THEIR USE, AND PROCESSES FOR PREPARING THEM REN, APC, PKD1 EPHB4 4012/4885EPHA2 4344/4885KDR 3805/4885
US-20060063752-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them REN, APC, PKD1 EPHB4 4012/4885EPHA2 4344/4885KDR 3805/4885
US-20020177601-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them PKD1, REN, BDKRB1 EPHB4 4068/4885EPHA2 4385/4885KDR 4070/4885
US-20020082271-A1 Aminoquinazolines which inhibit signal transduction mediated by tyrosine kinases MAP3K1, MAP3K19, MAP3K20 EPHB4 1814/4885EPHA2 1142/4885KDR 500/4885

“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.