SCHEMBL3786295

SCHEMBL3786295

Nc1cc(-c2ccncc2)c(-c2cnco2)nc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.51
ADORA2A P29274 3/20 0.46
ADORA2B P29275 3/20 0.46
ADORA1 P30542 2/20 0.46
MAP4K4 O95819 1/20 0.41
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
IMPDH2 P12268 2/20 0.37
IMPDH1 P20839 1/20 0.37
ATR Q13535 1/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
AURKB Q96GD4 1/20 0.35
INCENP Q9NQS7 1/20 0.35
NOTUM Q6P988 1/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL3789774 0.81 ADORA2B (0.44) PTK2ADORA2AADORA2BADORA1MAP4K4
SCHEMBL3793022 0.81 AAK1 (0.46) PTK2ADORA2AADORA2BADORA1MAP4K4
SCHEMBL4049442 0.80 PIK3R1 (0.54) ADORA2AADORA2BADORA1GAALMNA
SCHEMBL3796961 0.80 ADORA2B (0.47) ADORA2AADORA2BADORA1IMPDH2PDE3B
SCHEMBL3786302 0.80 MAP4K4 (0.35) PTK2ADORA2AADORA2BADORA1MAP4K4
SCHEMBL3792264 0.74 ADORA2A (0.46) ADORA2AADORA2BADORA1PDE3BPDE3A
SCHEMBL3788886 0.74 ADORA2A (0.51) ADORA2AADORA2BADORA1CYP11B1GAA
SCHEMBL3796566 0.72 GAA (0.43) ADORA2AADORA2BADORA1IMPDH2PDE3B
SCHEMBL3789853 0.72 ADORA2B (0.40) ADORA2AADORA2BADORA1PDE3BPDE3A
SCHEMBL3796976 0.72 PTK2 (0.45) PTK2ADORA2AADORA2BADORA1CYP11B1

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 PTK2 3650/4885ADORA2A 2/4885ADORA2B 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.