SCHEMBL4439692

SCHEMBL4439692

COc1ccc(F)c(-c2cc3nc(Cl)nc(N4CCOCC4)c3s2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
CLK1 P49759 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
PIK3CA P42336 8/20 0.43
MTOR P42345 6/20 0.43
PIK3CD O00329 2/20 0.43
PIK3CB P42338 2/20 0.43
AKT1 P31749 1/20 0.43
PIK3CG P48736 1/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
APP P05067 1/20 0.41
PIK3R1 P27986 5/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 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
SCHEMBL4438958 0.83 PIK3CA (0.64) PIK3CAMTORPIK3CDPIK3CBAKT1
SCHEMBL1864149 0.82 CYP1A2 (0.50) SMN1; SMN2PIK3CAMTORL3MBTL1PIK3R1
SCHEMBL1623283 0.77 SMN1; SMN2 (0.60) SMN1; SMN2PIK3CAMTORPIK3CDPIK3CB
SCHEMBL21054518 0.75 PIK3CA (0.53) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4556014 0.74 SMN1; SMN2 (0.52) SMN1; SMN2PIK3CAMTORPIK3CDPIK3CB
SCHEMBL14034104 0.74 NPY5R (0.57) PIK3CAMTORPIK3R1ALDH1A1HPGD
SCHEMBL466335 0.74 PIK3CA (0.52) SMN1; SMN2PIK3CAMTORPIK3CDPIK3CB
SCHEMBL4439661 0.74 PIK3CA (0.45) SMN1; SMN2PIK3CAMTORPIK3CDPIK3CB
SCHEMBL4439732 0.73 PIK3CA (0.65) SMN1; SMN2PIK3CAMTORPIK3CDPIK3CB
SCHEMBL4439746 0.73 PIK3CA (0.52) SMN1; SMN2PIK3CAMTORPIK3CDPIK3CB

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 1323/4885CLK1 352/4885RXFP1 4407/4885

“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.