SCHEMBL4556014

SCHEMBL4556014

COc1cc(-c2cc3nc(Cl)nc(N4CCOCC4)c3s2)ccc1N

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.52
PIK3CA P42336 11/20 0.49
MTOR P42345 10/20 0.49
PIK3R1 P27986 7/20 0.49
GAK O14976 3/20 0.47
KIT P10721 1/20 0.47
PIK3CD O00329 2/20 0.45
PIK3CB P42338 2/20 0.45
PIK3CG P48736 2/20 0.45
JAK2 O60674 1/20 0.44
SYK P43405 1/20 0.41
MAP3K9 P80192 1/20 0.41
SRC P12931 1/20 0.41
KCNH2 Q12809 1/20 0.41
GSK3B P49841 1/20 0.40

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
SCHEMBL4441199 0.84 MTOR (0.65) PIK3CAMTORPIK3R1GAKKIT
SCHEMBL4439746 0.83 PIK3CA (0.52) SMN1; SMN2PIK3CAMTORPIK3R1PIK3CD
SCHEMBL1864149 0.82 CYP1A2 (0.50) SMN1; SMN2PIK3CAMTORPIK3R1GAK
SCHEMBL466265 0.81 PIK3CA (0.66) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL1862105 0.81 MTOR (0.53) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL21054518 0.80 PIK3CA (0.53) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL4555628 0.79 PIK3CA (0.48) SMN1; SMN2PIK3CAMTORPIK3R1PIK3CD
SCHEMBL14034104 0.79 NPY5R (0.57) PIK3CAMTORPIK3R1
SCHEMBL466335 0.79 PIK3CA (0.52) SMN1; SMN2PIK3CAMTORPIK3R1PIK3CD
SCHEMBL4441214 0.78 PIK3CA (0.50) PIK3CAMTORPIK3R1PIK3CDPIK3CB

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.