SCHEMBL4555907

SCHEMBL4555907

CS(=O)(=O)N1CCN(c2ccc(-c3cc4nc(Cl)nc(N5CCOCC5)c4s3)cn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.55
PIK3CD O00329 12/20 0.55
PIK3CB P42338 11/20 0.55
PIK3CG P48736 11/20 0.55
MTOR P42345 8/20 0.51
PIK3R1 P27986 6/20 0.51
CNR2 P34972 1/20 0.43
PIK3C2A O00443 1/20 0.43
PLK4 O00444 1/20 0.43
PIK3R2 O00459 1/20 0.43
PIK3C2B O00750 1/20 0.43
GAK O14976 1/20 0.43
EPHB6 O15197 1/20 0.43
DAPK3 O43293 1/20 0.43
STK16 O75716 1/20 0.43
PIK3C2G O75747 1/20 0.43
NTRK1 P04629 1/20 0.43
NQO2 P16083 1/20 0.43
CSNK2A2 P19784 1/20 0.43
JAK1 P23458 1/20 0.43

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
SCHEMBL5103147 0.90 PIK3CA (0.53) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL4438568 0.86 PIK3CA (0.70) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL4439814 0.84 MTOR (0.49) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL4555872 0.83 PIK3CA (0.51) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL4436102 0.82 MTOR (0.53) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1864933 0.81 PIK3CA (0.64) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL25392410 0.81 PIK3CA (0.59) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL466265 0.80 PIK3CA (0.66) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL466335 0.79 PIK3CA (0.52) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL4441909 0.79 MTOR (0.51) PIK3CAPIK3CDPIK3CBPIK3CGMTOR

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
US-9487533-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2016-11-08 US disclosed
EP-2114950-B1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2016-03-09 EP disclosed
EP-2114950-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-11-11 EP disclosed
US-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2008-10-30 US disclosed
WO-2008073785-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-19 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-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, AKT3, PI4KA PIK3CA 1/4885PIK3CD 5/4885PIK3CB 15/4885

“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.