SCHEMBL3787494

SCHEMBL3787494

Nc1nc(-c2cccnc2)c(-c2ccncc2Cl)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 4/20 0.44
ADORA2A P29274 4/20 0.44
NQO2 P16083 3/20 0.44
DHFR P00374 1/20 0.40
CYP2A6 P11509 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
MAPK1 P28482 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
DAPK3 O43293 1/20 0.37
CCNE2 O96020 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
NPC1 O15118 1/20 0.36
CDK5 Q00535 1/20 0.36

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
SCHEMBL3790669 0.90 DHFR (0.42) ADORA2BADORA2ANQO2DHFRPDE4D
SCHEMBL3788981 0.88 DHFR (0.41) DHFRPDE4DMEN1ALDH1A1POLB
SCHEMBL3790899 0.86 ALDH1A1 (0.42) ADORA2BADORA2ANQO2CYP2A6PDE4A
SCHEMBL3786433 0.86 ADORA2A (0.44) ADORA2BADORA2ANQO2CYP2A6PDE4A
SCHEMBL14547055 0.84 PDE4A (0.37) ADORA2BADORA2ANQO2CYP2A6PDE4A
SCHEMBL18039102 0.83 ADORA2B (0.51) ADORA2BADORA2ANQO2CYP2A6CYP11B1
SCHEMBL3789867 0.82 DHFR (0.42) ADORA2BADORA2ANQO2DHFRPDE4D
SCHEMBL994805 0.82 DHFR (0.36) ADORA2BADORA2ADHFRMAPK1PTGS2
SCHEMBL3786756 0.82 ADORA2A (0.50) ADORA2BADORA2ANQO2CYP2A6CYP11B1
SCHEMBL3789454 0.82 DHFR (0.42) DHFRPDE4DMEN1ALDH1A1POLB

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 6 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

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 2/4885NQO2 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.