SCHEMBL4053436

SCHEMBL4053436

Nc1cc(-c2ccc(N)nc2-c2cccc(F)c2)ccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 4/20 0.60
MTOR P42345 1/20 0.48
ADORA2A P29274 5/20 0.44
ADORA1 P30542 4/20 0.44
ADORA3 P0DMS8 2/20 0.44
FYN P06241 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
MAPK14 Q16539 2/20 0.39
DPP4 P27487 1/20 0.39
PDE10A Q9Y233 1/20 0.39
DYRK1A Q13627 2/20 0.39
MAPK13 O15264 1/20 0.39
RAF1 P04049 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39

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
SCHEMBL4053433 0.86 ADORA2B (0.63) ADORA2BMTORADORA2AADORA1ADORA3
SCHEMBL5460965 0.84 ADORA1 (0.53) ADORA2BADORA2AADORA1FYNCDK2
SCHEMBL4059869 0.84 PIK3R1 (0.43) ADORA2BMTORADORA2AADORA1ADORA3
Ammonia Solution, Strong SCHEMBL5454694 0.83 ADORA1 (0.52) ADORA2BADORA2AADORA1FYNCDK2
SCHEMBL5454699 0.80 FYN (0.41) ADORA2BMTORADORA2AADORA1ADORA3
SCHEMBL4052377 0.80 MTOR (0.43) ADORA2BMTORADORA2AADORA1ADORA3
SCHEMBL4052643 0.78 DYRK1A (0.49) ADORA2BMTORADORA2AADORA1ADORA3
SCHEMBL1192038 0.76 MPO (0.47) ADORA2BMTORADORA2AADORA1MAPK14
SCHEMBL4054245 0.76 MTOR (0.45) ADORA2BMTORADORA2AADORA1ADORA3
SCHEMBL22172397 0.74 MAP4K4 (0.54) ADORA2BMTORADORA2AMAP4K4CLK4

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 3 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
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 ADORA2B 1/4885MTOR 4047/4885ADORA2A 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.