SCHEMBL3788913

SCHEMBL3788913

Nc1cc(-c2ccncc2Cl)c(-c2ccncc2)nc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
ADORA2B P29275 4/20 0.41
ADORA2A P29274 4/20 0.41
NQO2 P16083 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
ADORA1 P30542 2/20 0.39
GSK3B P49841 2/20 0.37
NFATC1 O95644 1/20 0.37
DYRK1A Q13627 1/20 0.37
KCNH2 Q12809 1/20 0.35
AOC3 Q16853 1/20 0.35
IMPDH2 P12268 1/20 0.34
AURKB Q96GD4 2/20 0.34

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
SCHEMBL18039099 0.90 ADORA2B (0.42) GAAADORA2BADORA2ANQO2KDM4E
SCHEMBL3793349 0.89 GAA (0.47) GAAADORA2BADORA2ANQO2KDM4E
SCHEMBL3796566 0.88 GAA (0.43) GAAADORA2BADORA2ANQO2KDM4E
SCHEMBL3786756 0.87 ADORA2A (0.50) GAAADORA2BADORA2ANQO2KDM4E
SCHEMBL3796961 0.81 ADORA2B (0.47) ADORA2BADORA2AADORA1IMPDH2AURKB
SCHEMBL3790669 0.80 DHFR (0.42) ADORA2BADORA2ANQO2KDM4EALDH1A1
SCHEMBL3791196 0.80 GAA (0.41) GAAADORA2BADORA2ANQO2CCNC
SCHEMBL995601 0.80 IDO1 (0.38) GAAADORA2BADORA2AKDM4EALDH1A1
SCHEMBL18039071 0.79 ADORA2B (0.51) GAAADORA2BADORA2ANQO2KDM4E
SCHEMBL18039102 0.77 ADORA2B (0.51) GAAADORA2BADORA2ANQO2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855202-B2 Imidazopyridine derivatives as A2B adenosine receptor antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2010-12-21 US disclosed
US-7855202-B2 Imidazopyridine derivatives as A2B adenosine receptor antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2010-12-21 US disclosed
US-7855202-B2 Imidazopyridine derivatives as A2B adenosine receptor antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2010-12-21 US disclosed
US-20080275038-A1 Imidazopyridine Derivatives as A2b Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2008-11-06 US disclosed
US-20080275038-A1 Imidazopyridine Derivatives as A2b Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2008-11-06 US disclosed
US-20080275038-A1 Imidazopyridine Derivatives as A2b Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2008-11-06 US disclosed
EP-1931666-A1 IMIDAZOPYRIDINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS Laboratorios Almirall, S.A. (ES) 2008-06-18 EP disclosed
WO-2007039297-A1 IMIDAZOPYRIDINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2007-04-12 WO disclosed
WO-2007039297-A1 IMIDAZOPYRIDINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2007-04-12 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 (1 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-20080275038-A1 Imidazopyridine Derivatives as A2b Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA1 GAA 1139/4885ADORA2B 1/4885ADORA2A 2/4885

“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.