SCHEMBL4435371

SCHEMBL4435371

CC(=O)N1CCN(C(=O)c2cccc(-c3sc4c(N5CCOCC5)nc(-c5cnc(N)nc5)nc4c3C)c2)CC1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 17/20 0.88
PIK3CA P42336 17/20 0.88
PIK3CD O00329 10/20 0.57
PIK3CB P42338 10/20 0.57
PIK3CG P48736 10/20 0.57
PARP1 P09874 3/20 0.57
PARP2 Q9UGN5 2/20 0.57
PIK3C2A O00443 1/20 0.54
PIK3C2B O00750 1/20 0.54
STK10 O94804 1/20 0.54
PAK4 O96013 1/20 0.54
ABL1 P00519 1/20 0.54
EGFR P00533 1/20 0.54
FGR P09769 1/20 0.54
FER P16591 1/20 0.54
PRKCA P17252 1/20 0.54
JAK1 P23458 1/20 0.54
TEC P42680 1/20 0.54
SYK P43405 1/20 0.54
PRKDC P78527 1/20 0.54

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
SCHEMBL4436757 0.94 PIK3CA (1.00) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4439783 0.92 PIK3CA (0.84) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL14034194 0.91 PIK3CA (0.83) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4436112 0.89 PIK3CA (0.83) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4436850 0.89 PIK3CA (0.80) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4438154 0.89 MTOR (0.80) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4438591 0.89 PIK3CA (0.82) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4433978 0.89 PIK3CA (0.86) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4441241 0.84 MTOR (0.76) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL17571345 0.84 MTOR (0.78) MTORPIK3CAPIK3CDPIK3CBPIK3CG

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 15 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

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 MTOR 11/4885PIK3CA 1/4885PIK3CD 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.