SCHEMBL3789867

SCHEMBL3789867

Nc1nc(-c2ccncc2Cl)c(-c2ccncc2)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.42
MAPT P10636 3/20 0.40
RAB9A P51151 1/20 0.40
PDE7A Q13946 3/20 0.37
PDE4B Q07343 2/20 0.37
PDE4D Q08499 2/20 0.37
PDE7B Q9NP56 2/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
CDK1 P06493 2/20 0.36
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
CCNB2 O95067 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
NQO2 P16083 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 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
SCHEMBL3788981 0.91 DHFR (0.41) DHFRMAPTRAB9APDE7APDE4B
SCHEMBL3790669 0.90 DHFR (0.42) DHFRMAPTRAB9APDE7APDE4B
SCHEMBL3788901 0.85 ADORA2B (0.37) DHFRMAPTRAB9AADORA2AADORA2B
SCHEMBL3789859 0.84 RAB9A (0.40) DHFRMAPTRAB9APDE7APDE4B
SCHEMBL3790893 0.84 DHFR (0.40) DHFRMAPTRAB9ACDK1GSK3A
SCHEMBL14546839 0.82 RAB9A (0.33) DHFRMAPTRAB9AGSK3BMEN1
SCHEMBL3787494 0.82 ADORA2B (0.44) DHFRMAPTPDE4DPTGS1PTGS2
SCHEMBL3789454 0.82 DHFR (0.42) DHFRMAPTRAB9APDE7APDE4B
SCHEMBL3786433 0.81 ADORA2A (0.44) RAB9APDE4DPTGS1PTGS2NQO2
SCHEMBL994805 0.81 DHFR (0.36) DHFRMAPTPTGS2ADORA2AADORA2B

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 8 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

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 DHFR 866/4885MAPT 4625/4885RAB9A 2470/4885

“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.