SCHEMBL4436583

SCHEMBL4436583

CN(Cc1cc2c(N3CCOCC3)nc(-c3cccnc3)nc2s1)S(C)(=O)=O

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.72
PIK3CB P42338 9/20 0.72
MTOR P42345 3/20 0.53
PIK3CD O00329 1/20 0.53
PIK3CG P48736 1/20 0.53
ALDH1A1 P00352 3/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM4E B2RXH2 2/20 0.49
GBA1 P04062 1/20 0.49
HDAC1 Q13547 1/20 0.43
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL4438199 0.89 PIK3CA (0.80) PIK3CAPIK3CBMTORPIK3CDPIK3CG
SCHEMBL4444965 0.88 PIK3CA (0.78) PIK3CAPIK3CBMTORPIK3CDPIK3CG
SCHEMBL4434051 0.86 PIK3CA (0.72) PIK3CAPIK3CBMTORPIK3CDPIK3CG
SCHEMBL4437621 0.86 PIK3CA (0.53) PIK3CAPIK3CBMTORPIK3CDPIK3CG
SCHEMBL4436578 0.85 PIK3CA (0.82) PIK3CAPIK3CBMTORPIK3CDPIK3CG
SCHEMBL27943056 0.85 PIK3CA (0.53) PIK3CAPIK3CBMTORPIK3CDPIK3CG
SCHEMBL4438904 0.84 PIK3CA (1.00) PIK3CAPIK3CBMTORPIK3CDPIK3CG
SCHEMBL4440906 0.84 PIK3CA (0.83) PIK3CAPIK3CBMTORPIK3CDPIK3CG
SCHEMBL190137 0.83 PIK3CA (0.76) PIK3CAPIK3CBMTORPIK3CDPIK3CG
SCHEMBL4437449 0.82 PIK3CA (0.81) PIK3CAPIK3CBMTORPIK3CDPIK3CG

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885PIK3CB 15/4885MTOR 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.