SCHEMBL3789859

SCHEMBL3789859

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.40
ADORA2B P29275 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
ADK P55263 1/20 0.39
CDC7 O00311 1/20 0.39
PKN1 Q16512 1/20 0.39
PKN2 Q16513 1/20 0.39
MAPT P10636 4/20 0.39
NPC1 O15118 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
PDE7A Q13946 2/20 0.38
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE7B Q9NP56 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LRRK2 Q5S007 1/20 0.38
PTGS1 P23219 1/20 0.37

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
SCHEMBL3786433 0.88 ADORA2A (0.44) RAB9AADORA2BADORA2AADORA1NPC1
SCHEMBL4052641 0.87 ADORA2A (0.48) ADORA2BADORA2AADORA1CDC7PKN1
SCHEMBL4060442 0.84 ADK (0.42) RAB9AADORA2AADORA1ADKMAPT
SCHEMBL3790669 0.84 DHFR (0.42) RAB9AADORA2BADORA2AMAPTMEN1
SCHEMBL3789867 0.84 DHFR (0.42) RAB9AADORA2BADORA2AMAPTMEN1
SCHEMBL3788901 0.84 ADORA2B (0.37) RAB9AADORA2BADORA2ACDC7PKN1
SCHEMBL3792526 0.84 RAB9A (0.45) RAB9AADORA2BCDC7PKN1PKN2
SCHEMBL3791610 0.84 CTSB (0.41) RAB9AADORA2BADORA2APKN1PKN2
SCHEMBL4052079 0.83 PIK3R1 (0.47) RAB9AADORA2BADORA2AADORA1NPC1
SCHEMBL3793022 0.83 AAK1 (0.46) RAB9AADORA2BADORA2AADORA1CDC7

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 RAB9A 2470/4885ADORA2B 1/4885ADORA2A 2/4885

“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.