SCHEMBL4052079

SCHEMBL4052079

Nc1nc(-c2ccco2)c(-c2ccncc2)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 1/20 0.47
PIK3CA P42336 1/20 0.47
ADORA2A P29274 10/20 0.46
ADORA1 P30542 10/20 0.46
ADORA2B P29275 7/20 0.46
ADORA3 P0DMS8 3/20 0.46
PDE4A P27815 1/20 0.40
PDE4D Q08499 1/20 0.40
ERN1 O75460 1/20 0.39
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SMARCA2 P51531 1/20 0.38
PBRM1 Q86U86 1/20 0.38

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
SCHEMBL4052085 0.88 DYRK1A (0.47) PIK3R1PIK3CAADORA2AADORA1ADORA2B
SCHEMBL3793022 0.83 AAK1 (0.46) ADORA2AADORA1ADORA2BNPC1RAB9A
SCHEMBL3789859 0.83 RAB9A (0.40) ADORA2AADORA1ADORA2BPDE4DNPC1
SCHEMBL3790043 0.81 ADORA2B (0.43) ADORA2AADORA1ADORA2BNPC1RAB9A
SCHEMBL4049442 0.81 PIK3R1 (0.54) PIK3R1PIK3CAADORA2AADORA1ADORA2B
SCHEMBL4054189 0.79 PIK3R1 (0.47) PIK3R1PIK3CAADORA2AADORA1ADORA2B
SCHEMBL3786433 0.78 ADORA2A (0.44) ADORA2AADORA1ADORA2BPDE4APDE4D
SCHEMBL4058052 0.77 ADORA2B (0.40) ADORA2AADORA1ADORA2BADORA3PDE4A
SCHEMBL4060442 0.77 ADK (0.42) ADORA2AADORA1ERN1NPC1RAB9A
SCHEMBL4052641 0.77 ADORA2A (0.48) ADORA2AADORA1ADORA2BADORA3

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-20090023763-A1 Condensed Pyridine Derivatives Useful as A2B Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-01-22 US disclosed
US-20090023763-A1 Condensed Pyridine Derivatives Useful as A2B Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-01-22 US disclosed
US-20090023763-A1 Condensed Pyridine Derivatives Useful as A2B Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-01-22 US disclosed
EP-1735310-A1 CONDENSED PYRIDINE DERIVATIVES USEFUL AS A28 ADENOSINE RECEPTOR ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2006-12-27 EP disclosed
WO-2005100353-A1 CONDENSED PYRIDINE DERIVATIVES USEFUL AS A28 ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL PRODESFARMA, SA (ES) 2005-10-27 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-20090023763-A1 Condensed Pyridine Derivatives Useful as A2B Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA1 PIK3R1 1835/4885PIK3CA 1228/4885ADORA2A 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.