SCHEMBL4059869

SCHEMBL4059869

Nc1cc(-c2cc(Br)c(N)nc2-c2cccc(F)c2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 1/20 0.43
PIK3CA P42336 1/20 0.43
ADORA2B P29275 5/20 0.42
MTOR P42345 1/20 0.41
FYN P06241 2/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
DPP4 P27487 1/20 0.40
ADORA2A P29274 5/20 0.40
ADORA1 P30542 3/20 0.39
MAP4K4 O95819 2/20 0.39
MAPK14 Q16539 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38

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
SCHEMBL4059867 0.85 ADORA2A (0.51) PIK3R1PIK3CAADORA2BKDM4EMEN1
SCHEMBL4053436 0.84 ADORA2B (0.60) ADORA2BMTORFYNKDM4EMEN1
SCHEMBL4052377 0.83 MTOR (0.43) ADORA2BMTORFYNKDM4EMEN1
SCHEMBL5460965 0.82 ADORA1 (0.53) ADORA2BFYNADORA2AADORA1
SCHEMBL4052643 0.81 DYRK1A (0.49) ADORA2BMTORFYNKDM4EMEN1
Ammonia Solution, Strong SCHEMBL5454694 0.81 ADORA1 (0.52) ADORA2BFYNADORA2AADORA1
SCHEMBL4054245 0.79 MTOR (0.45) ADORA2BMTORFYNKDM4EMEN1
SCHEMBL5454699 0.78 FYN (0.41) ADORA2BMTORFYNKDM4EMEN1
SCHEMBL22172393 0.76 MAP4K4 (0.55) ADORA2AMAP4K4
SCHEMBL25511533 0.75 ADORA2A (0.49) PIK3R1PIK3CAADORA2BKDM4EMEN1

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 PIK3R1 1835/4885PIK3CA 1228/4885ADORA2B 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.