SCHEMBL4445524

SCHEMBL4445524

OCCOCCNc1cccc(-c2cc3nc(Cl)nc(N4CCOCC4)c3s2)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.42
PIKFYVE Q9Y2I7 1/20 0.41
MTOR P42345 5/20 0.41
PIK3R1 P27986 3/20 0.40
KCNH2 Q12809 1/20 0.38
PIK3CD O00329 4/20 0.38
PIK3CB P42338 4/20 0.38
PIK3CG P48736 4/20 0.38
NPY5R Q15761 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
STK17B O94768 1/20 0.36

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
SCHEMBL4438137 0.93 KCNH2 (0.42) PIK3CAPIKFYVEMTORPIK3R1KCNH2
SCHEMBL4436862 0.85 MTOR (0.60) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL1862974 0.83 PIKFYVE (0.45) PIK3CAPIKFYVEMTORPIK3R1PIK3CD
SCHEMBL1865157 0.81 MEN1 (0.45) PIK3CAPIKFYVEMTORPIK3R1PIK3CD
SCHEMBL5109688 0.79 PRKDC (0.57) PIK3CAPIKFYVEMTORPIK3R1NPY5R
SCHEMBL4435304 0.79 PIK3CA (0.45) PIK3CAMTORPIK3R1KCNH2PIK3CD
SCHEMBL14034104 0.79 NPY5R (0.57) PIK3CAPIKFYVEMTORPIK3R1NPY5R
SCHEMBL1857072 0.78 MEN1 (0.49) PIK3CAPIKFYVEMTORPIK3CDPIK3CB
SCHEMBL4435173 0.78 MTOR (0.57) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL5115338 0.78 PIK3CA (0.44) PIK3CAPIKFYVEMTORPIK3R1PIK3CD

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 1/4885PIKFYVE 27/4885MTOR 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.