SCHEMBL10502

SCHEMBL10502

C[C@@H](CNC(=O)Nc1cc(-c2cnc3ccccc3c2)n(C)n1)OCC1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 7/20 0.42
CYP2C9 P11712 2/20 0.42
PRKDC P78527 1/20 0.42
KCNH2 Q12809 1/20 0.40
CHRNB2 P17787 2/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
PIK3CA P42336 2/20 0.36
PIK3CD O00329 1/20 0.36
FASN P49327 1/20 0.36
MAPK1 P28482 2/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
MAPK14 Q16539 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNB3 Q05901 1/20 0.35
AURKB Q96GD4 1/20 0.35

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
SCHEMBL10949 0.82 PIK3CG (0.50) PIK3CGCYP2C9PRKDCKCNH2PIK3CA
SCHEMBL12733331 0.82 PIK3CG (0.41) PIK3CGCYP2C9PRKDCKCNH2PIK3CA
SCHEMBL12733383 0.79 PIK3CG (0.43) PIK3CGCYP2C9PRKDCKCNH2PIK3CA
SCHEMBL10729 0.71 PIK3CG (0.48) PIK3CGCYP2C9PRKDCKCNH2FASN
SCHEMBL10474 0.71 ABL1 (0.49) PIK3CGCYP2C9PRKDCKCNH2PIK3CA
SCHEMBL12993504 0.69 PIK3CG (0.56) PIK3CGCYP2C9PRKDCKCNH2
SCHEMBL10734 0.68 PIK3CG (0.49) PIK3CGCYP2C9PRKDCKCNH2PIK3CA
SCHEMBL10456 0.68 PIK3CG (0.51) PIK3CGCYP2C9PRKDCPIK3CAPIK3CD
SCHEMBL9990 0.67 PIK3CG (0.68) PIK3CGCYP2C9PRKDCPIK3CAPIK3CD
SCHEMBL1313478 0.67 KDM4E (0.49) CHRNB2CHRNA7CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011041634-A1 PYRAZOLE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-07 WO disclosed
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 3/4885CYP2C9 2078/4885PRKDC 55/4885

“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.