SCHEMBL5108968

SCHEMBL5108968

CC(=O)c1cccc(-c2cc3nc(Cl)nc(N4CCOCC4)c3s2)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.56
MTOR P42345 8/20 0.56
PIK3R1 P27986 7/20 0.49
PIKFYVE Q9Y2I7 1/20 0.46
PRKDC P78527 1/20 0.45
NPY5R Q15761 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
PIK3CD O00329 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
STK17B O94768 1/20 0.42
PRKCI P41743 1/20 0.42

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
SCHEMBL1862960 0.91 PIK3CA (0.55) PIK3CAMTORPIK3R1PIKFYVEPRKDC
SCHEMBL5106330 0.90 PIK3CA (0.55) PIK3CAMTORPIK3R1PIKFYVENPY5R
SCHEMBL1861416 0.89 PIK3CA (0.64) PIK3CAMTORPIK3R1PIKFYVENPY5R
SCHEMBL5109688 0.88 PRKDC (0.57) PIK3CAMTORPIK3R1PIKFYVEPRKDC
SCHEMBL1867000 0.87 PIK3CA (0.52) PIK3CAMTORPIK3R1PIKFYVENPY5R
SCHEMBL14034104 0.85 NPY5R (0.57) PIK3CAMTORPIK3R1PIKFYVEPRKDC
SCHEMBL1858510 0.84 PIK3CA (0.49) PIK3CAMTORPIK3R1PIKFYVENPY5R
SCHEMBL1858503 0.84 PIK3CA (0.49) PIK3CAMTORPIK3R1PIKFYVENPY5R
SCHEMBL5105191 0.84 PIK3CA (0.51) PIK3CAMTORPIK3R1PIKFYVENPY5R
SCHEMBL4436465 0.83 PIK3CA (0.49) PIK3CAMTORPIK3R1PIKFYVEPRKDC

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 3 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
US-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2008-10-30 US 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.