SCHEMBL4440996

SCHEMBL4440996

Nc1cnc(-c2cc3nc(Cl)nc(N4CCOCC4)c3s2)cn1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.48
MTOR P42345 14/20 0.48
PIK3R1 P27986 10/20 0.48
PIK3CD O00329 4/20 0.47
PIK3CB P42338 4/20 0.47
PIK3CG P48736 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
SYK P43405 1/20 0.43
MAP3K9 P80192 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
SCHEMBL466265 0.84 PIK3CA (0.66) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL1864705 0.83 PIK3CA (0.43) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL4436763 0.83 PIK3CA (0.66) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL4439746 0.80 PIK3CA (0.52) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL1180287 0.80 PIK3CA (0.49) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL21054518 0.78 PIK3CA (0.53) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL5103147 0.78 PIK3CA (0.53) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL466335 0.77 PIK3CA (0.52) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL1862105 0.77 MTOR (0.53) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL14034104 0.77 NPY5R (0.57) PIK3CAMTORPIK3R1

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 11/4885PIK3R1 16/4885

“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.