SCHEMBL5115338

SCHEMBL5115338

OCCCc1cccc(-c2cc3nc(Cl)nc(N4CCOCC4)c3s2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.44
PIK3CD O00329 2/20 0.44
PIK3CG P48736 2/20 0.44
PIK3CB P42338 1/20 0.44
MTOR P42345 9/20 0.44
PIK3R1 P27986 5/20 0.43
PIKFYVE Q9Y2I7 1/20 0.43
NPY5R Q15761 1/20 0.41
STK17B O94768 1/20 0.40
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
SRC P12931 1/20 0.39
EPHA3 P29320 1/20 0.39
KDR P35968 1/20 0.39
FLT3 P36888 1/20 0.39
SYK P43405 1/20 0.39
BTK Q06187 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
SCHEMBL4436820 0.86 MTOR (0.49) PIK3CAPIK3CDPIK3CGPIK3CBMTOR
SCHEMBL14034104 0.84 NPY5R (0.57) PIK3CAMTORPIK3R1PIKFYVENPY5R
SCHEMBL4438742 0.83 MTOR (0.66) PIK3CAPIK3CDPIK3CGPIK3CBMTOR
SCHEMBL4435182 0.83 PIK3CA (0.44) PIK3CAPIK3CDPIK3CGPIK3CBMTOR
SCHEMBL4438418 0.83 MTOR (0.57) PIK3CAPIK3CDPIK3CGPIK3CBMTOR
SCHEMBL4436465 0.82 PIK3CA (0.49) PIK3CAPIK3CDPIK3CGPIK3CBMTOR
SCHEMBL1856931 0.81 PIK3CA (0.56) PIK3CAPIK3CDPIK3CGPIK3CBMTOR
SCHEMBL1862105 0.81 MTOR (0.53) PIK3CAPIK3CDPIK3CGPIK3CBMTOR
SCHEMBL21054518 0.80 PIK3CA (0.53) PIK3CAPIK3CDPIK3CGPIK3CBMTOR
SCHEMBL4439757 0.80 MTOR (0.53) PIK3CAPIK3CDPIK3CGPIK3CBMTOR

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 1/4885PIK3CD 5/4885PIK3CG 21/4885

“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.