SCHEMBL4438796

SCHEMBL4438796

COC1(c2cc3nc(Cl)nc(N4CCOCC4)c3s2)COC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
PIK3CA P42336 17/20 0.44
MTOR P42345 10/20 0.44
PIK3R1 P27986 11/20 0.42
PIK3CD O00329 1/20 0.37
PIK3CB P42338 1/20 0.37
SYK P43405 1/20 0.37
PIK3CG P48736 1/20 0.37
MAP3K9 P80192 1/20 0.37

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
SCHEMBL1870405 0.87 SMN1; SMN2 (0.47) SMN1; SMN2PIK3CAMTORPIK3R1PIK3CD
SCHEMBL4447687 0.82 PIK3CA (0.47) SMN1; SMN2PIK3CAMTORPIK3R1PIK3CD
SCHEMBL4439768 0.81 PIK3CA (0.67) PIK3CAMTORPIK3CDPIK3CBSYK
SCHEMBL1623283 0.81 SMN1; SMN2 (0.60) SMN1; SMN2PIK3CAMTORPIK3R1PIK3CD
SCHEMBL1860950 0.81 PIK3CD (0.41) SMN1; SMN2PIK3CAMTORPIK3R1PIK3CD
SCHEMBL4440964 0.79 PIK3CA (0.54) PIK3CAMTORPIK3CDPIK3CBSYK
SCHEMBL190386 0.78 PIK3CA (0.58) SMN1; SMN2PIK3CAMTORPIK3R1PIK3CD
SCHEMBL4435282 0.78 HDAC1 (0.55) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL1862672 0.78 PIK3CA (0.53) SMN1; SMN2PIK3CAMTORPIK3R1PIK3CD
SCHEMBL1864899 0.78 PIK3CA (0.51) SMN1; SMN2PIK3CAMTORPIK3R1PIK3CD

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 SMN1; SMN2 1323/4885PIK3CA 1/4885MTOR 11/4885

“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.