SCHEMBL13739

SCHEMBL13739

Cn1nc(NC(=O)NCCOCC2CC2)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 17/20 0.48
PIK3CA P42336 2/20 0.48
PIK3CD O00329 1/20 0.48
CYP2C9 P11712 2/20 0.40
PRKDC P78527 1/20 0.40
FASN P49327 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 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
SCHEMBL10361 0.78 PIK3CG (0.49) PIK3CGPIK3CAPIK3CDCYP2C9
SCHEMBL10392 0.77 PIK3CG (0.51) PIK3CGPIK3CAPIK3CDCYP2C9PRKDC
SCHEMBL10110 0.77 PIK3CG (0.47) PIK3CGPIK3CAPIK3CDCYP2C9PRKDC
SCHEMBL10456 0.77 PIK3CG (0.51) PIK3CGPIK3CAPIK3CDCYP2C9PRKDC
SCHEMBL10434 0.77 PIK3CG (0.45) PIK3CGPIK3CAPIK3CDCYP2C9PRKDC
SCHEMBL9990 0.76 PIK3CG (0.68) PIK3CGPIK3CAPIK3CDCYP2C9PRKDC
SCHEMBL12710081 0.75 ABL1 (0.49) PIK3CGPIK3CAPIK3CDCYP2C9PRKDC
SCHEMBL12710085 0.75 ABL1 (0.50) PIK3CGPIK3CAPIK3CDCYP2C9PRKDC
SCHEMBL12710084 0.75 PIK3CG (0.63) PIK3CGPIK3CAPIK3CDCYP2C9PRKDC
SCHEMBL10234 0.75 PIK3CG (0.49) PIK3CGPIK3CAPIK3CDCYP2C9PRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488511-A1 PYRAZOLE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE Vertex Pharmaceuticals Incorporated (US) 2012-08-22 EP 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
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 3/4885PIK3CA 1/4885PIK3CD 2/4885

“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.