SCHEMBL3786756

SCHEMBL3786756

Nc1cc(-c2ccncc2Cl)c(-c2cccnc2)nc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.50
ADORA2B P29275 4/20 0.50
NQO2 P16083 3/20 0.50
GAA P10253 2/20 0.40
AXL P30530 2/20 0.39
MKNK1 Q9BUB5 2/20 0.39
MKNK2 Q9HBH9 2/20 0.39
MEN1 O00255 1/20 0.39
PSIP1 O75475 1/20 0.39
BRAF P15056 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
CYP2A6 P11509 1/20 0.38
KDM4E B2RXH2 3/20 0.38
GLA P06280 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
CYP17A1 P05093 1/20 0.37
CYP3A4 P08684 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
SCHEMBL18039102 0.90 ADORA2B (0.51) ADORA2AADORA2BNQO2GAAAXL
SCHEMBL3788913 0.87 GAA (0.43) ADORA2AADORA2BNQO2GAAMKNK2
SCHEMBL3793349 0.86 GAA (0.47) ADORA2AADORA2BNQO2GAAMKNK2
SCHEMBL3794193 0.84 KDM4E (0.44) ADORA2AADORA2BNQO2GAAAXL
SCHEMBL3788886 0.83 ADORA2A (0.51) ADORA2AADORA2BNQO2GAAAXL
SCHEMBL3787494 0.82 ADORA2B (0.44) ADORA2AADORA2BNQO2MEN1CYP2A6
SCHEMBL18039108 0.81 ADORA2B (0.56) ADORA2AADORA2BNQO2GAACYP2A6
SCHEMBL18039058 0.79 ADORA2B (0.48) ADORA2AADORA2BNQO2GAAAXL
SCHEMBL995601 0.79 IDO1 (0.38) ADORA2AADORA2BGAACCNCCDK8
SCHEMBL3796566 0.79 GAA (0.43) ADORA2AADORA2BNQO2GAACCNC

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 ADORA2A 2/4885ADORA2B 1/4885NQO2 740/4885

“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.