SCHEMBL4054655

SCHEMBL4054655

Fc1cccc(-c2nc3[nH]c(C4CC4)nc3cc2-c2ccncc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.50
ADORA2A P29274 2/20 0.50
ADORA2B P29275 2/20 0.50
ADORA1 P30542 2/20 0.50
MAPK14 Q16539 6/20 0.45
MAPK13 O15264 5/20 0.45
MAPK12 P53778 5/20 0.45
MAPK11 Q15759 5/20 0.45
RAF1 P04049 4/20 0.45
CSNK1A1 P48729 1/20 0.42
CSNK1D P48730 1/20 0.42
RPS6KA3 P51812 1/20 0.42
MAPK9 P45984 3/20 0.41
KIT P10721 3/20 0.39
TP53 P04637 1/20 0.38
AKT1 P31749 2/20 0.37
AKT2 P31751 1/20 0.37
GCGR P47871 1/20 0.36
PDE10A Q9Y233 1/20 0.36
CDC7 O00311 1/20 0.35

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
SCHEMBL4049622 0.81 ADORA3 (0.51) ADORA3ADORA2AADORA2BADORA1MAPK14
SCHEMBL4049130 0.79 ADORA3 (0.48) ADORA3ADORA2AADORA2BADORA1MAPK14
SCHEMBL4051165 0.78 PIK3R1 (0.50) ADORA3ADORA2AADORA2BADORA1
SCHEMBL4051354 0.76 ADORA2A (0.50) ADORA3ADORA2AADORA2BADORA1MAPK14
SCHEMBL3788904 0.76 ADORA2B (0.45) ADORA2AADORA2BCSNK1A1CSNK1DRPS6KA3
SCHEMBL4059301 0.75 ADORA3 (0.49) ADORA3ADORA2AADORA2BADORA1MAPK14
SCHEMBL4054187 0.75 ADORA2A (0.51) ADORA3ADORA2AADORA2BADORA1MAPK14
SCHEMBL4051449 0.72 PDE3B (0.57) ADORA3ADORA2AADORA2BADORA1MAPK14
SCHEMBL3794512 0.72 ADORA2B (0.43) ADORA3ADORA2AADORA2BADORA1MAPK14
SCHEMBL4049728 0.69 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 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 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

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.