SCHEMBL4433784

SCHEMBL4433784

Cc1c(-c2cccc(O)c2)sc2c(N3CCOCC3)nc(Cl)nc12

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.56
MTOR P42345 8/20 0.51
PIK3CG P48736 4/20 0.49
PIK3CB P42338 2/20 0.49
PIK3R1 P27986 2/20 0.49
PIK3C2B O00750 1/20 0.49
CCNE2 O96020 1/20 0.49
PRKACA P17612 1/20 0.49
PRKACG P22612 1/20 0.49
PRKACB P22694 1/20 0.49
CCNE1 P24864 1/20 0.49
CDK2 P24941 1/20 0.49
KDR P35968 1/20 0.49
PIK3CD O00329 3/20 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
SCHEMBL5109178 0.88 MTOR (0.56) PIK3CAMTORPIK3CGPIK3CBPIK3R1
SCHEMBL1866732 0.86 PIK3CA (0.57) PIK3CAMTORPIK3R1
SCHEMBL27943089 0.86 MTOR (0.50) PIK3CAMTORPIK3R1CDK2
SCHEMBL4447055 0.85 MTOR (0.51) PIK3CAMTORPIK3CGPIK3CBPIK3R1
SCHEMBL1859486 0.84 MTOR (0.71) PIK3CAMTORPIK3CGPIK3CBPIK3R1
SCHEMBL1859483 0.84 MTOR (0.71) PIK3CAMTORPIK3CGPIK3CBPIK3R1
SCHEMBL4433918 0.84 MTOR (0.49) PIK3CAMTORPIK3R1
SCHEMBL5103488 0.82 MTOR (0.46) PIK3CAMTORPIK3CGPIK3CBPIK3R1
SCHEMBL5103497 0.82 MTOR (0.46) PIK3CAMTORPIK3CGPIK3CBPIK3R1
SCHEMBL4441241 0.82 MTOR (0.76) PIK3CAMTORPIK3CGPIK3CBPIK3C2B

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-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 11/4885PIK3CG 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.