SCHEMBL3789853

SCHEMBL3789853

Nc1cc(-c2ccncc2)c(-c2ccncc2F)nc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 4/20 0.40
ADORA2A P29274 4/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
NUDT1 P36639 1/20 0.39
MAPK14 Q16539 2/20 0.38
CDC7 O00311 1/20 0.37
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
AURKB Q96GD4 1/20 0.36
INCENP Q9NQS7 1/20 0.36
ADORA1 P30542 1/20 0.36
RPS6KA3 P51812 3/20 0.35
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 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
SCHEMBL994808 0.83 KDM4E (0.43) ADORA2BADORA2ANUDT1CDC7PIM1
SCHEMBL3796566 0.82 GAA (0.43) ADORA2BADORA2ACYP3A4PDE3BPDE3A
SCHEMBL3796961 0.81 ADORA2B (0.47) ADORA2BADORA2AMAPK14PDE3BPDE3A
SCHEMBL3788901 0.80 ADORA2B (0.37) ADORA2BADORA2ACYP3A4CYP2C19NUDT1
SCHEMBL3791196 0.80 GAA (0.41) ADORA2BADORA2ANUDT1CDC7RPS6KA3
SCHEMBL3794193 0.79 KDM4E (0.44) ADORA2BADORA2ACYP3A4CYP2C19NUDT1
SCHEMBL3788886 0.78 ADORA2A (0.51) ADORA2BADORA2ACYP3A4ADORA1
SCHEMBL4049728 0.77 ADORA2A (0.52) ADORA2BADORA2ACYP3A4MAPK14CDC7
SCHEMBL18039097 0.75 ADORA2B (0.45) ADORA2BADORA2ACYP3A4CYP2C19NUDT1
SCHEMBL18039117 0.75 NUDT1 (0.43) ADORA2BADORA2ACYP3A4CYP2C19NUDT1

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 7 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
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 ADORA2B 1/4885ADORA2A 2/4885CYP3A4 1582/4885

“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.