SCHEMBL560813

SCHEMBL560813

Cn1ncc2c(Nc3ccc(S(C)(=O)=O)cc3)cc(-c3cccc4[nH]ncc34)nc21

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.70
PIK3CD O00329 1/20 0.69
PIK3CB P42338 1/20 0.69
PIK3CG P48736 1/20 0.69
PRKDC P78527 1/20 0.69
RAF1 P04049 2/20 0.44
BRAF P15056 2/20 0.44
EPHB4 P54760 1/20 0.43
GAA P10253 1/20 0.42
PTK6 Q13882 2/20 0.42
GSK3B P49841 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
PLK4 O00444 1/20 0.39
METAP2 P50579 1/20 0.39

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
SCHEMBL561550 0.86 PIK3CA (0.75) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL2195210 0.83 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL561236 0.82 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL561415 0.79 PIK3CA (0.71) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL561900 0.77 PIK3CA (0.58) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL561177 0.77 PIK3CA (0.53) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL2194222 0.76 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL560837 0.76 PIK3CA (0.71) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL560911 0.75 PIK3CA (0.59) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL561058 0.73 PIK3CA (0.51) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653098-B2 Pyrazolopyridine PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2014-02-18 US claimed
EP-2356117-B1 PYRAZOLOPYRIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2012-09-26 EP claimed
US-20120035208-A1 PYRAZOLOPYRIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2012-02-09 US claimed
US-8653098-B2 Pyrazolopyridine PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2014-02-18 US disclosed
US-8653098-B2 Pyrazolopyridine PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2014-02-18 US disclosed
US-8653098-B2 Pyrazolopyridine PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2014-02-18 US disclosed
WO-2012156379-A1 PIK3/P110α INHIBITORS FOR PREVENTION OF RESTENOSIS BY APPLICATION AS AN IMPLANT COATING Universität Zürich (CH) 2012-11-22 WO disclosed
WO-2012156379-A1 PIK3/P110α INHIBITORS FOR PREVENTION OF RESTENOSIS BY APPLICATION AS AN IMPLANT COATING Universität Zürich (CH) 2012-11-22 WO disclosed
EP-2356117-B1 PYRAZOLOPYRIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2012-09-26 EP disclosed
US-20120035208-A1 PYRAZOLOPYRIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2012-02-09 US disclosed
US-20120035208-A1 PYRAZOLOPYRIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2012-02-09 US disclosed
US-20120035208-A1 PYRAZOLOPYRIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2012-02-09 US disclosed
EP-2356117-A1 PYRAZOLOPYRIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-08-17 EP disclosed
WO-2010059788-A1 PYRAZOLOPYRIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2010-05-27 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-20120035208-A1 PYRAZOLOPYRIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PI4KA PIK3CA 1/4885PIK3CD 2/4885PIK3CB 6/4885

“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.