SCHEMBL3796017

SCHEMBL3796017

O=c1[nH]c2cc(-c3ccncc3Cl)c(-c3cccnc3)nc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 8/20 0.46
PDE3A Q14432 8/20 0.46
ADORA2B P29275 3/20 0.43
IDO1 P14902 1/20 0.43
ADORA2A P29274 2/20 0.42
ADORA1 P30542 1/20 0.42
TYMP P19971 1/20 0.41
CLK2 P49760 2/20 0.41
CLK3 P49761 2/20 0.41
DYRK1A Q13627 2/20 0.41
PDE2A O00408 1/20 0.40
PTGES O14684 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
BRAF P15056 1/20 0.39
NQO2 P16083 1/20 0.39
CYP19A1 P11511 1/20 0.39
PIM1 P11309 2/20 0.39
PLK4 O00444 1/20 0.39

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
SCHEMBL3799092 0.89 PDE3B (0.55) PDE3BPDE3AADORA2BIDO1ADORA2A
SCHEMBL3792280 0.88 PDE3B (0.49) PDE3BPDE3AADORA2BIDO1ADORA2A
SCHEMBL3791332 0.86 PDE3B (0.46) PDE3BPDE3AADORA2BADORA2AADORA1
SCHEMBL3798702 0.82 PDE3B (0.59) PDE3BPDE3AADORA2BIDO1ADORA2A
SCHEMBL995256 0.82 IDO1 (0.46) PDE3BPDE3AADORA2BIDO1ADORA2A
SCHEMBL20675107 0.81 PDE3B (0.46) PDE3BPDE3AADORA2BIDO1ADORA2A
SCHEMBL3790711 0.79 PDE3B (0.44) PDE3BPDE3AADORA2BADORA2AADORA1
SCHEMBL20674911 0.78 ADORA2A (0.48) ADORA2BIDO1ADORA2AADORA1DYRK1A
SCHEMBL3977258 0.75 IDO1 (0.41) PDE3BPDE3AADORA2BIDO1ADORA2A
SCHEMBL18039102 0.74 ADORA2B (0.51) ADORA2BADORA2AADORA1CYP3A4BRAF

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 420/4885ADORA2B 1/4885

“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.