SCHEMBL3786433

SCHEMBL3786433

Nc1nc(-c2cccnc2)c(-c2ccncc2)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.44
ADORA2B P29275 3/20 0.44
NQO2 P16083 2/20 0.44
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
MAPK1 P28482 1/20 0.41
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
CYP2A6 P11509 1/20 0.40
ADORA1 P30542 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA5 P30532 1/20 0.39
CHRNA4 P43681 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
SCHEMBL3789859 0.88 RAB9A (0.40) ADORA2AADORA2BNPC1PDE4DPTGS1
SCHEMBL3787494 0.86 ADORA2B (0.44) ADORA2AADORA2BNQO2NPC1L3MBTL1
SCHEMBL3790899 0.86 ALDH1A1 (0.42) ADORA2AADORA2BNQO2NPC1L3MBTL1
SCHEMBL4052641 0.84 ADORA2A (0.48) ADORA2AADORA2BADORA1CYP11B1CYP11B2
SCHEMBL3796932 0.83 ADORA2B (0.42) ADORA2AADORA2BNQO2NPC1L3MBTL1
SCHEMBL14547055 0.83 PDE4A (0.37) ADORA2AADORA2BNQO2NPC1L3MBTL1
SCHEMBL3791733 0.82 ADORA2B (0.46) ADORA2AADORA2BNQO2NPC1L3MBTL1
SCHEMBL3788901 0.81 ADORA2B (0.37) ADORA2AADORA2BNPC1MAPK1RAB9A
SCHEMBL3789867 0.81 DHFR (0.42) ADORA2AADORA2BNQO2PDE4DPTGS1
SCHEMBL3788886 0.80 ADORA2A (0.51) ADORA2AADORA2BNQO2CYP2A6ADORA1

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 5 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-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 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.