SCHEMBL10234

SCHEMBL10234

Cn1nc(NC(=O)NCCOCC2CC2)cc1C#Cc1ccc2nccnc2c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 16/20 0.49
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45
CYP2C9 P11712 2/20 0.42
PRKDC P78527 1/20 0.42
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
ABL1 P00519 1/20 0.35
ABL2 P42684 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
FASN P49327 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
SCHEMBL10729 0.85 PIK3CG (0.48) PIK3CGCYP2C9PRKDCKEAP1NFE2L2
SCHEMBL12710085 0.85 ABL1 (0.50) PIK3CGPIK3CDPIK3CACYP2C9PRKDC
SCHEMBL12710081 0.84 ABL1 (0.49) PIK3CGPIK3CDPIK3CACYP2C9PRKDC
SCHEMBL10110 0.82 PIK3CG (0.47) PIK3CGPIK3CDPIK3CACYP2C9PRKDC
SCHEMBL10167 0.82 PIK3CG (0.64) PIK3CGPIK3CDPIK3CACYP2C9PRKDC
SCHEMBL12710086 0.81 PIK3CG (0.45) PIK3CGPIK3CDPIK3CACYP2C9PRKDC
SCHEMBL12710084 0.80 PIK3CG (0.63) PIK3CGPIK3CDPIK3CACYP2C9PRKDC
SCHEMBL13004882 0.77 PIK3CG (0.79) PIK3CGCYP2C9PRKDC
SCHEMBL13739 0.75 PIK3CG (0.48) PIK3CGPIK3CDPIK3CACYP2C9PRKDC
SCHEMBL10434 0.71 PIK3CG (0.45) PIK3CGPIK3CDPIK3CACYP2C9PRKDC

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 3 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
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 3/4885PIK3CD 2/4885PIK3CA 1/4885

“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.