SCHEMBL4439631

SCHEMBL4439631

Nc1ccc(-c2nc(N3CCOCC3)c3sc(-c4cccc(C(=O)N5CCOCC5)c4)cc3n2)cn1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.77
MTOR P42345 14/20 0.77
PIK3CD O00329 5/20 0.55
PIK3CG P48736 5/20 0.55
PIK3CB P42338 4/20 0.55
PIK3R1 P27986 2/20 0.53
SYK P43405 1/20 0.51
MAP3K9 P80192 1/20 0.51
PARP1 P09874 3/20 0.49
PARP2 Q9UGN5 1/20 0.49
AKT1 P31749 1/20 0.48
PLK4 O00444 1/20 0.47
JAK2 O60674 1/20 0.47
MAP4K4 O95819 1/20 0.47
ROS1 P08922 1/20 0.47
FGFR1 P11362 1/20 0.47
FLT1 P17948 1/20 0.47
MARK3 P27448 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47

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
SCHEMBL4436679 0.94 PIK3CA (0.87) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL4439727 0.93 PIK3CA (0.66) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL4435316 0.92 PIK3CA (0.89) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL4441251 0.91 PIK3CA (0.67) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL4440759 0.91 PIK3CA (0.67) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL4436351 0.91 PIK3CA (0.68) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL4555883 0.88 PIK3CA (0.65) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL27943046 0.88 PIK3CA (0.65) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL17571365 0.88 PIK3CA (0.63) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL4438499 0.87 MTOR (0.65) 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 16 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
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
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.