SCHEMBL12710084

SCHEMBL12710084

COc1cncc(C#Cc2cc(NC(=O)NCCOCC3CC3)nn2C)c1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 17/20 0.63
CYP2C9 P11712 3/20 0.46
PRKDC P78527 1/20 0.46
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45
ABL1 P00519 1/20 0.36
ABL2 P42684 1/20 0.36
KCNH2 Q12809 1/20 0.36
CLK2 P49760 2/20 0.35
DYRK1A Q13627 2/20 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
SCHEMBL12710081 0.85 ABL1 (0.49) PIK3CGCYP2C9PRKDCPIK3CDPIK3CA
SCHEMBL10167 0.85 PIK3CG (0.64) PIK3CGCYP2C9PRKDCPIK3CDPIK3CA
SCHEMBL10392 0.82 PIK3CG (0.51) PIK3CGCYP2C9PRKDCPIK3CDPIK3CA
SCHEMBL12710085 0.81 ABL1 (0.50) PIK3CGCYP2C9PRKDCPIK3CDPIK3CA
SCHEMBL10234 0.80 PIK3CG (0.49) PIK3CGCYP2C9PRKDCPIK3CDPIK3CA
SCHEMBL13004889 0.77 PIK3CG (1.00) PIK3CGCYP2C9PRKDCKCNH2
SCHEMBL12710086 0.76 PIK3CG (0.45) PIK3CGCYP2C9PRKDCPIK3CDPIK3CA
SCHEMBL13739 0.75 PIK3CG (0.48) PIK3CGCYP2C9PRKDCPIK3CDPIK3CA
SCHEMBL12710083 0.73 ABL1 (0.50) PIK3CGCYP2C9PRKDCPIK3CDPIK3CA
SCHEMBL10361 0.71 PIK3CG (0.49) PIK3CGCYP2C9PIK3CDPIK3CA

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 3/4885CYP2C9 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.