SCHEMBL4554591

SCHEMBL4554591

Nc1ccc(-c2nc(N3CCOCC3)c3sc(-c4nc(-c5cccnc5)no4)cc3n2)cn1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.56
MTOR P42345 13/20 0.56
PIK3CD O00329 5/20 0.56
PIK3CG P48736 5/20 0.56
PIK3CB P42338 3/20 0.53
PIK3R1 P27986 5/20 0.51
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GBA1 P04062 1/20 0.48
SYK P43405 1/20 0.47
MAP3K9 P80192 1/20 0.47
RICTOR Q6R327 2/20 0.45
RPTOR Q8N122 2/20 0.45
MAPKAP1 Q9BPZ7 2/20 0.45
MLST8 Q9BVC4 2/20 0.45

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
SCHEMBL4445170 0.92 PIK3CA (0.63) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL4438164 0.84 PIK3CA (0.67) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL4438499 0.84 MTOR (0.65) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL4437617 0.81 MTOR (0.64) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL4437471 0.80 MTOR (0.69) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL4441280 0.80 MTOR (0.62) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL4555639 0.80 PIK3CA (0.58) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL14034226 0.80 PIK3CA (0.64) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL17555350 0.79 PIK3CA (0.61) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL27953609 0.79 PIK3CA (0.59) PIK3CAMTORPIK3CDPIK3CGPIK3CB

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 13 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 claimed
EP-2114950-B1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2016-03-09 EP claimed
US-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2008-10-30 US claimed
US-9487533-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2016-11-08 US disclosed
US-9487533-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2016-11-08 US disclosed
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
US-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2008-10-30 US 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
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 11/4885PIK3CD 5/4885

“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.