SCHEMBL4437569

SCHEMBL4437569

Nc1ncc(-c2nc(N3CCOCC3)c3sc(-c4cccc(CNC(=O)CO)c4)cc3n2)cn1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.64
MTOR P42345 10/20 0.64
PIK3CD O00329 14/20 0.55
PIK3CB P42338 14/20 0.55
PIK3CG P48736 14/20 0.55
SYK P43405 1/20 0.55
MAP3K9 P80192 1/20 0.55
AKT1 P31749 1/20 0.51
PARP1 P09874 1/20 0.51
PARP2 Q9UGN5 1/20 0.51

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
SCHEMBL4439818 0.93 PIK3CA (0.60) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4440511 0.92 PIK3CA (0.67) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4439713 0.89 MTOR (0.66) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL27943081 0.89 MTOR (0.66) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4445652 0.86 MTOR (0.68) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4436813 0.86 MTOR (0.75) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4438960 0.85 MTOR (0.71) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4438742 0.85 MTOR (0.66) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4435182 0.85 PIK3CA (0.44) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4447470 0.84 PIK3CA (0.66) PIK3CAMTORPIK3CDPIK3CBPIK3CG

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 18 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
CN-101675053-B Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH INC 2014-03-12 CN claimed
EP-2114950-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-11-11 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
WO-2008073785-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-19 WO 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-B1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2016-03-09 EP disclosed
CN-101675053-B Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH INC 2014-03-12 CN 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.