SCHEMBL4059301

SCHEMBL4059301

Fc1cccc(-c2nc3[nH]cnc3cc2-c2ccncc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.49
ADORA2A P29274 2/20 0.49
ADORA2B P29275 2/20 0.49
ADORA1 P30542 2/20 0.49
MAPK14 Q16539 4/20 0.46
MAPK13 O15264 3/20 0.46
MAPK12 P53778 3/20 0.46
MAPK11 Q15759 3/20 0.46
RAF1 P04049 2/20 0.46
TP53 P04637 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
CDC7 O00311 2/20 0.40
GSK3B P49841 2/20 0.40
ROCK2 O75116 1/20 0.40
MAP4K4 O95819 1/20 0.40
PIM1 P11309 1/20 0.40
PRKACA P17612 1/20 0.40
CDK2 P24941 1/20 0.40
HIPK2 Q9H2X6 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40

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
SCHEMBL4051354 0.81 ADORA2A (0.50) ADORA3ADORA2AADORA2BADORA1MAPK14
SCHEMBL4054187 0.80 ADORA2A (0.51) ADORA3ADORA2AADORA2BADORA1MAPK14
SCHEMBL3066370 0.80 MAPK14 (0.48) ADORA3ADORA2AADORA2BADORA1MAPK14
SCHEMBL4049622 0.79 ADORA3 (0.51) ADORA3ADORA2AADORA2BADORA1MAPK14
SCHEMBL4051449 0.77 PDE3B (0.57) ADORA3ADORA2AADORA2BADORA1MAPK14
SCHEMBL4049130 0.76 ADORA3 (0.48) ADORA3ADORA2AADORA2BADORA1MAPK14
SCHEMBL4054655 0.75 ADORA3 (0.50) ADORA3ADORA2AADORA2BADORA1MAPK14
SCHEMBL4059109 0.75 PIK3R1 (0.55) ADORA3ADORA2AADORA2BADORA1GSK3B
SCHEMBL3786729 0.73 ADORA2A (0.46) ADORA3ADORA2AADORA2BADORA1MAPK14
SCHEMBL4049728 0.73 ADORA2A (0.52) ADORA3ADORA2AADORA2BADORA1MAPK14

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-20090023763-A1 Condensed Pyridine Derivatives Useful as A2B Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-01-22 US claimed
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 ADORA3 4/4885ADORA2A 2/4885ADORA2B 1/4885

“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.