SCHEMBL3789858

SCHEMBL3789858

O=c1[nH]c2cc(-c3ccncc3)c(-c3ccncc3F)nc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 14/20 0.59
PDE3A Q14432 14/20 0.59
ADORA2A P29274 2/20 0.42
ADORA2B P29275 2/20 0.42
ADORA1 P30542 1/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
PDE2A O00408 2/20 0.40
P2RY12 Q9H244 1/20 0.39
CDC7 O00311 2/20 0.38
MAPK14 Q16539 1/20 0.38
ROCK2 O75116 1/20 0.37
MAP4K4 O95819 1/20 0.37
PRKACA P17612 1/20 0.37
CDK2 P24941 1/20 0.37
GSK3B P49841 1/20 0.37
HIPK2 Q9H2X6 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
IRAK4 Q9NWZ3 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
SCHEMBL995132 0.85 PDE3B (0.44) PDE3BPDE3AADORA2AADORA2BADORA1
SCHEMBL3798702 0.85 PDE3B (0.59) PDE3BPDE3AADORA2AADORA2BADORA1
SCHEMBL3791671 0.84 PDE3B (0.71) PDE3BPDE3AADORA2AADORA2BADORA1
SCHEMBL3791332 0.82 PDE3B (0.46) PDE3BPDE3AADORA2AADORA2BADORA1
SCHEMBL996753 0.79 PDE3B (0.64) PDE3BPDE3AADORA2AADORA2BADORA1
SCHEMBL4051449 0.79 PDE3B (0.57) PDE3BPDE3AADORA2AADORA2BADORA1
SCHEMBL995256 0.78 IDO1 (0.46) PDE3BPDE3AADORA2AADORA2BADORA1
SCHEMBL3799092 0.78 PDE3B (0.55) PDE3BPDE3AADORA2AADORA2BADORA1
SCHEMBL3791730 0.77 ADORA2A (0.47) PDE3BPDE3AADORA2AADORA2BADORA1
SCHEMBL3794505 0.77 PDE3B (0.57) PDE3BPDE3AADORA2AADORA2BADORA1

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 PDE3B 267/4885PDE3A 420/4885ADORA2A 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.