SCHEMBL4439732

SCHEMBL4439732

COC(C)(C)c1cc2nc(Cl)nc(N3CCOCC3)c2s1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.65
MTOR P42345 10/20 0.65
SMN1; SMN2 Q16637 1/20 0.51
PIK3CD O00329 2/20 0.49
PIK3CB P42338 2/20 0.49
PIK3CG P48736 2/20 0.49
SYK P43405 1/20 0.49
MAP3K9 P80192 1/20 0.49
PIK3R1 P27986 10/20 0.43
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL1285174 0.87 PIK3CA (0.63) PIK3CAMTORSMN1; SMN2PIK3CDPIK3CB
SCHEMBL1285170 0.87 PIK3CA (0.64) PIK3CAMTORSMN1; SMN2PIK3CDPIK3CB
SCHEMBL4439091 0.84 PIK3CA (0.50) PIK3CAMTORSMN1; SMN2PIK3CDPIK3CB
SCHEMBL4441458 0.84 PIK3CA (0.50) PIK3CAMTORSMN1; SMN2PIK3CDPIK3CB
SCHEMBL4554166 0.82 PIK3CA (0.51) PIK3CAMTORSMN1; SMN2PIK3CDPIK3CB
SCHEMBL1623283 0.82 SMN1; SMN2 (0.60) PIK3CAMTORSMN1; SMN2PIK3CDPIK3CB
SCHEMBL4438229 0.81 SMN1; SMN2 (0.51) PIK3CAMTORSMN1; SMN2PIK3CBMEN1
SCHEMBL23630760 0.81 PIK3CA (0.52) PIK3CAMTORSMN1; SMN2PIK3CDPIK3CB
SCHEMBL1284908 0.80 PIK3CA (0.47) PIK3CAMTORSMN1; SMN2PIK3CDPIK3CB
SCHEMBL4554182 0.79 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG

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 1/4885MTOR 11/4885SMN1; SMN2 1323/4885

“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.