SCHEMBL4435182

SCHEMBL4435182

O=C(CO)NCc1cccc(-c2cc3nc(Cl)nc(N4CCOCC4)c3s2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.44
MTOR P42345 4/20 0.44
PIKFYVE Q9Y2I7 1/20 0.44
PIK3CD O00329 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
PIK3R1 P27986 3/20 0.41
STK17B O94768 1/20 0.41
SRC P12931 2/20 0.39
NPY5R Q15761 1/20 0.39
LCK P06239 1/20 0.39
YES1 P07947 1/20 0.39
LYN P07948 1/20 0.39
HCK P08631 1/20 0.39
FGR P09769 1/20 0.39
EPHA3 P29320 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL4433859 0.92 JAK2 (0.43) PIK3CAMTORPIKFYVEJAK2JAK1
SCHEMBL4436465 0.90 PIK3CA (0.49) PIK3CAMTORPIKFYVEPIK3CDPIK3CB
SCHEMBL4438840 0.87 MTOR (0.45) PIK3CAMTORPIKFYVEPIK3CDPIK3CB
SCHEMBL1865157 0.86 MEN1 (0.45) PIK3CAMTORPIKFYVEPIK3CDPIK3CB
SCHEMBL4437569 0.85 PIK3CA (0.64) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4439757 0.83 MTOR (0.53) PIK3CAMTORPIKFYVEPIK3CDPIK3CB
SCHEMBL5115338 0.83 PIK3CA (0.44) PIK3CAMTORPIKFYVEPIK3CDPIK3CB
SCHEMBL4436820 0.82 MTOR (0.49) PIK3CAMTORPIKFYVEPIK3CDPIK3CB
SCHEMBL5114245 0.82 PIK3CA (0.47) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL1867000 0.80 PIK3CA (0.52) PIK3CAMTORPIKFYVEPIK3CDPIK3CB

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 1/4885MTOR 11/4885PIKFYVE 27/4885

“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.