SCHEMBL10237

SCHEMBL10237

C[C@H](CNC(=O)Nc1cc(-c2ccc(N)nc2)n(C)n1)OCC1CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 7/20 0.41
CYP2C9 P11712 2/20 0.41
PRKDC P78527 1/20 0.41
KCNH2 Q12809 1/20 0.40
FASN P49327 1/20 0.37
MAPK1 P28482 8/20 0.37
ABL1 P00519 1/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
BRD4 O60885 1/20 0.34
IKBKB O14920 1/20 0.34
AXL P30530 1/20 0.34
MERTK Q12866 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
SCHEMBL12733331 0.84 PIK3CG (0.41) PIK3CGCYP2C9PRKDCKCNH2FASN
SCHEMBL10456 0.84 PIK3CG (0.51) PIK3CGCYP2C9PRKDCMAPK1ABL1
SCHEMBL10502 0.84 PIK3CG (0.42) PIK3CGCYP2C9PRKDCKCNH2FASN
SCHEMBL12733383 0.83 PIK3CG (0.43) PIK3CGCYP2C9PRKDCKCNH2FASN
SCHEMBL10474 0.83 ABL1 (0.49) PIK3CGCYP2C9PRKDCKCNH2FASN
SCHEMBL10949 0.83 PIK3CG (0.50) PIK3CGCYP2C9PRKDCKCNH2PIK3CD
SCHEMBL10729 0.71 PIK3CG (0.48) PIK3CGCYP2C9PRKDCKCNH2FASN
SCHEMBL10734 0.70 PIK3CG (0.49) PIK3CGCYP2C9PRKDCKCNH2FASN
SCHEMBL19317711 0.68 ABL1 (0.53) ABL1PIK3CA
SCHEMBL12710085 0.67 ABL1 (0.50) PIK3CGCYP2C9PRKDCABL1PIK3CD

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
US-20110081316-A1 PYRAZOLE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-07 US disclosed
WO-2011041634-A1 PYRAZOLE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-07 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-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.