SCHEMBL4052641

SCHEMBL4052641

Nc1nc(-c2cccc(F)c2)c(-c2ccncc2)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.48
ADORA2B P29275 3/20 0.48
ADORA3 P0DMS8 2/20 0.48
ADORA1 P30542 2/20 0.48
MAPK14 Q16539 3/20 0.43
MAPK13 O15264 2/20 0.43
MAPK12 P53778 2/20 0.43
MAPK11 Q15759 2/20 0.43
RAF1 P04049 1/20 0.43
TP53 P04637 1/20 0.40
EIF4E P06730 1/20 0.39
MAPT P10636 2/20 0.38
DPP4 P27487 1/20 0.38
PKN1 Q16512 1/20 0.38
PKN2 Q16513 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CDC7 O00311 1/20 0.38
GCGR P47871 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
SCHEMBL4052643 0.87 DYRK1A (0.49) ADORA2AADORA2BADORA3ADORA1EIF4E
SCHEMBL3789859 0.87 RAB9A (0.40) ADORA2AADORA2BADORA1MAPTPKN1
SCHEMBL3786433 0.84 ADORA2A (0.44) ADORA2AADORA2BADORA1KDM4ECYP11B1
SCHEMBL3788901 0.81 ADORA2B (0.37) ADORA2AADORA2BMAPK14MAPTPKN1
SCHEMBL4049728 0.80 ADORA2A (0.52) ADORA2AADORA2BADORA3ADORA1MAPK14
SCHEMBL4055282 0.80 CTSB (0.41) ADORA2AADORA2BADORA1EIF4EMAPT
SCHEMBL4059867 0.79 ADORA2A (0.51) ADORA2AADORA2BADORA3ADORA1MAPK14
SCHEMBL4060442 0.78 ADK (0.42) ADORA2AADORA1EIF4EMAPTKDM4E
SCHEMBL4052079 0.77 PIK3R1 (0.47) ADORA2AADORA2BADORA3ADORA1
SCHEMBL6765797 0.77 CDC7 (0.55) ADORA2AADORA2BADORA3ADORA1MAPK14

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 4 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
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 ADORA2A 2/4885ADORA2B 1/4885ADORA3 4/4885

“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.