SCHEMBL12733383

SCHEMBL12733383

COc1ccc(-c2cc(NC(=O)NC[C@H](C)OCC3CC3)nn2C)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 8/20 0.43
PIK3CA P42336 3/20 0.40
PIK3CD O00329 2/20 0.40
FASN P49327 1/20 0.40
PDE4D Q08499 1/20 0.39
CYP2C9 P11712 2/20 0.39
KCNH2 Q12809 1/20 0.39
PRKDC P78527 1/20 0.39
MAPK1 P28482 4/20 0.37
YES1 P07947 1/20 0.37
HIPK1 Q86Z02 1/20 0.37
AURKB Q96GD4 1/20 0.37
FYN P06241 2/20 0.37
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
PPARG P37231 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 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
SCHEMBL10497 0.87 PIK3CG (0.50) PIK3CGPIK3CAPIK3CDCYP2C9KCNH2
SCHEMBL12733331 0.85 PIK3CG (0.41) PIK3CGPIK3CAPIK3CDFASNCYP2C9
SCHEMBL12710144 0.83 PIK3CG (0.49) PIK3CGPIK3CAPIK3CDFASNCYP2C9
SCHEMBL10237 0.83 PIK3CG (0.41) PIK3CGPIK3CAPIK3CDFASNCYP2C9
SCHEMBL10734 0.74 PIK3CG (0.49) PIK3CGPIK3CAPIK3CDFASNCYP2C9
SCHEMBL10729 0.72 PIK3CG (0.48) PIK3CGFASNCYP2C9KCNH2PRKDC
SCHEMBL9990 0.71 PIK3CG (0.68) PIK3CGPIK3CAPIK3CDCYP2C9PRKDC
SCHEMBL10110 0.69 PIK3CG (0.47) PIK3CGPIK3CAPIK3CDCYP2C9PRKDC
SCHEMBL10456 0.67 PIK3CG (0.51) PIK3CGPIK3CAPIK3CDCYP2C9PRKDC
SCHEMBL13060611 0.66 PIK3CG (0.58) PIK3CGPIK3CAPIK3CDCYP2C9KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110081316-A1 PYRAZOLE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-07 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-20110081316-A1 PYRAZOLE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIK3CG PIK3CG 3/4885PIK3CA 1/4885PIK3CD 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.