SCHEMBL10474

SCHEMBL10474

C[C@H](CNC(=O)Nc1cc(C#Cc2ccc(N)nc2)n(C)n1)OCC1CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.49
ABL2 P42684 2/20 0.49
PIK3CG P48736 6/20 0.48
CYP2C9 P11712 2/20 0.48
PRKDC P78527 1/20 0.48
KCNH2 Q12809 1/20 0.45
FASN P49327 1/20 0.41
PIK3CA P42336 9/20 0.38
MTOR P42345 9/20 0.38
ACACB O00763 2/20 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
SCHEMBL10729 0.85 PIK3CG (0.48) ABL1ABL2PIK3CGCYP2C9PRKDC
SCHEMBL12710144 0.85 PIK3CG (0.49) ABL1ABL2PIK3CGCYP2C9PRKDC
SCHEMBL12710085 0.85 ABL1 (0.50) ABL1ABL2PIK3CGCYP2C9PRKDC
SCHEMBL10734 0.84 PIK3CG (0.49) ABL1ABL2PIK3CGCYP2C9PRKDC
SCHEMBL10237 0.83 PIK3CG (0.41) ABL1PIK3CGCYP2C9PRKDCKCNH2
SCHEMBL12733331 0.71 PIK3CG (0.41) ABL1PIK3CGCYP2C9PRKDCKCNH2
SCHEMBL10502 0.71 PIK3CG (0.42) PIK3CGCYP2C9PRKDCKCNH2FASN
SCHEMBL12733383 0.70 PIK3CG (0.43) PIK3CGCYP2C9PRKDCKCNH2FASN
SCHEMBL24449093 0.70 ABL1 (0.75) ABL1ABL2PIK3CAMTOR
SCHEMBL10949 0.70 PIK3CG (0.50) PIK3CGCYP2C9PRKDCKCNH2PIK3CA

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 ABL1 212/4885ABL2 1079/4885PIK3CG 3/4885

“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.