SCHEMBL4052377

SCHEMBL4052377

C#Cc1cc(-c2ccnc(N)c2)c(-c2cccc(F)c2)nc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.43
ADORA2B P29275 4/20 0.39
FYN P06241 2/20 0.38
ADORA2A P29274 5/20 0.38
ADORA1 P30542 4/20 0.38
DPP4 P27487 1/20 0.38
DYRK1A Q13627 2/20 0.37
GSK3B P49841 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
CHUK O15111 1/20 0.36
ADORA3 P0DMS8 2/20 0.36
MAP4K4 O95819 3/20 0.36
MAPK14 Q16539 2/20 0.35
MAPK13 O15264 1/20 0.34
RAF1 P04049 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34

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
SCHEMBL4052370 0.86 ADORA2A (0.47) MTORADORA2BADORA2AADORA1DPP4
SCHEMBL4054245 0.84 MTOR (0.45) MTORADORA2BFYNADORA2AADORA1
SCHEMBL4059869 0.83 PIK3R1 (0.43) MTORADORA2BFYNADORA2AADORA1
SCHEMBL4053436 0.80 ADORA2B (0.60) MTORADORA2BFYNADORA2AADORA1
SCHEMBL5460965 0.78 ADORA1 (0.53) ADORA2BFYNADORA2AADORA1
SCHEMBL4052643 0.77 DYRK1A (0.49) MTORADORA2BFYNADORA2AADORA1
Ammonia Solution, Strong SCHEMBL5454694 0.77 ADORA1 (0.52) ADORA2BFYNADORA2AADORA1
SCHEMBL6765596 0.74 ADORA1 (0.49) ADORA2BADORA2AADORA1DPP4KDM4E
SCHEMBL5454699 0.74 FYN (0.41) MTORADORA2BFYNADORA2AADORA1
SCHEMBL4054241 0.71 ADORA2A (0.47) MTORADORA2BFYNADORA2AADORA1

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
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 MTOR 4047/4885ADORA2B 1/4885FYN 4727/4885

“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.