SCHEMBL3791196

SCHEMBL3791196

Nc1cc(-c2ccncc2F)c(-c2ccncc2Cl)nc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
NUDT1 P36639 2/20 0.40
KCNH2 Q12809 2/20 0.37
AOC3 Q16853 2/20 0.37
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
DPP4 P27487 2/20 0.36
ADORA2A P29274 2/20 0.33
ADORA2B P29275 2/20 0.33
CDC7 O00311 2/20 0.33
LATS1 O95835 1/20 0.33
NQO2 P16083 1/20 0.33
CYP1A2 P05177 1/20 0.33
METAP2 P50579 1/20 0.33
IDO1 P14902 1/20 0.33
RPS6KA3 P51812 1/20 0.33
NFATC1 O95644 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
IMPDH2 P12268 1/20 0.33

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
SCHEMBL3793349 0.90 GAA (0.47) GAAKCNH2AOC3CCNCCDK8
SCHEMBL995601 0.85 IDO1 (0.38) GAACCNCCDK8DPP4ADORA2A
SCHEMBL18039117 0.84 NUDT1 (0.43) GAANUDT1KCNH2AOC3DPP4
SCHEMBL994808 0.83 KDM4E (0.43) GAANUDT1DPP4ADORA2AADORA2B
SCHEMBL3796566 0.83 GAA (0.43) GAAKCNH2AOC3CCNCCDK8
SCHEMBL3789853 0.80 ADORA2B (0.40) NUDT1ADORA2AADORA2BCDC7LATS1
SCHEMBL3788913 0.80 GAA (0.43) GAAKCNH2AOC3CCNCCDK8
SCHEMBL3794193 0.80 KDM4E (0.44) GAANUDT1ADORA2AADORA2BCDC7
SCHEMBL18039100 0.78 ADORA2B (0.44) GAANUDT1KCNH2AOC3ADORA2A
SCHEMBL3789774 0.77 ADORA2B (0.44) NUDT1KCNH2AOC3ADORA2AADORA2B

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 GAA 1139/4885NUDT1 109/4885KCNH2 1359/4885

“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.