SCHEMBL3786729

SCHEMBL3786729

c1cc(-c2cc3nc[nH]c3nc2-c2ncco2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.46
ADORA2B P29275 5/20 0.46
ADORA1 P30542 4/20 0.46
PIK3CA P42336 4/20 0.36
PIK3R1 P27986 1/20 0.36
AKT1 P31749 1/20 0.32
CYP3A4 P08684 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CYP2C19 P33261 1/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
MAPK14 Q16539 2/20 0.31
PDE3B Q13370 2/20 0.31
PDE3A Q14432 2/20 0.31
MAPK13 O15264 1/20 0.31
RAF1 P04049 1/20 0.31
MAPK9 P45984 1/20 0.31

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
SCHEMBL3793082 0.82 ADORA2A (0.45) ADORA2AADORA2BADORA1CYP3A4ADORA3
SCHEMBL4059109 0.81 PIK3R1 (0.55) ADORA2AADORA2BADORA1PIK3CAPIK3R1
SCHEMBL3796976 0.79 PTK2 (0.45) ADORA2AADORA2BADORA1PIK3CAPIK3R1
SCHEMBL3794180 0.78 PDE3B (0.57) ADORA2AADORA2BADORA1ADORA3PDE3B
SCHEMBL11368582 0.74 PDE3B (0.55) PIK3CAPIK3CDPIK3CBPIK3CGMAPK14
SCHEMBL4059301 0.73 ADORA3 (0.49) ADORA2AADORA2BADORA1PIK3CACYP3A4
SCHEMBL3792264 0.73 ADORA2A (0.46) ADORA2AADORA2BADORA1PIK3CAPIK3R1
SCHEMBL11370541 0.70 PDE3B (0.36) PIK3CAAKT1CYP3A4PIK3CDPIK3CB
SCHEMBL11363187 0.68 PDE3B (0.42) PIK3CACYP3A4PIK3CDPIK3CBPIK3CG
SCHEMBL11362214 0.68 PDE3B (0.39) PIK3CAPIK3CDPIK3CBPIK3CGMAPK14

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 11 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 claimed
US-20080275038-A1 Imidazopyridine Derivatives as A2b Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2008-11-06 US claimed
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 ADORA2A 2/4885ADORA2B 1/4885ADORA1 3/4885

“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.