SCHEMBL4020732

SCHEMBL4020732

Cc1ccc(F)c(-c2ccc(N)nc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.44
MTOR P42345 4/20 0.44
CNR2 P34972 1/20 0.43
NOS3 P29474 1/20 0.41
NOS2 P35228 1/20 0.41
PIK3CD O00329 3/20 0.41
TGFBR1 P36897 1/20 0.39
FEN1 P39748 2/20 0.39
TDO2 P48775 2/20 0.39
ABL1 P00519 1/20 0.38
LTA4H P09960 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
MAP4K4 O95819 2/20 0.38
AOC3 Q16853 1/20 0.38
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
CYP1A2 P05177 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL13750538 0.86 PTGS2 (0.43) PIK3CAMTORCNR2PIK3CDTGFBR1
SCHEMBL13729542 0.78 TRPV3 (0.36) CNR2TGFBR1
SCHEMBL12537710 0.78 TRPV3 (0.52) PIK3CAMTORKCNH2
SCHEMBL11065380 0.74 PIK3CD (0.57) PIK3CAMTORNOS3NOS2PIK3CD
SCHEMBL2614972 0.73 APEX1 (0.44) CYP1A2
SCHEMBL4019137 0.72 FEN1 (0.44) CNR2NOS3NOS2PIK3CDFEN1
SCHEMBL22198981 0.72 MAP4K4 (0.51) PIK3CAMTORNOS3NOS2PIK3CD
SCHEMBL31118697 0.71 KCNH2 (0.50) PIK3CAMTORPIK3CDMAP4K4KCNH2
SCHEMBL11908040 0.70 KDM4E (0.46) PIK3CAMTORPIK3CDFEN1TDO2
SCHEMBL18652678 0.69 MAPK14 (0.46) TGFBR1MAP4K4MINK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
WO-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 WO disclosed
WO-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 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-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists NPY4R, NPY1R, NPY5R PIK3CA 3044/4885MTOR 1826/4885CNR2 15/4885

“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.