SCHEMBL560480

SCHEMBL560480

COc1ccc(Oc2cc(-c3cccc4[nH]ncc34)nc3c2cnn3C)cc1OC

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.71
PIK3CD O00329 1/20 0.71
PIK3CB P42338 1/20 0.71
PIK3CG P48736 1/20 0.71
PRKDC P78527 1/20 0.71
BRD4 O60885 1/20 0.44
RAF1 P04049 3/20 0.38
BRAF P15056 3/20 0.38
ABL1 P00519 1/20 0.38
FLT3 P36888 1/20 0.38
DRD1 P21728 1/20 0.37
RET P07949 1/20 0.37
KIF5B P33176 1/20 0.37
SHMT2 P34897 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36

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
SCHEMBL561243 0.90 PIK3CA (0.71) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL561252 0.84 PIK3CA (0.73) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL2191490 0.84 PIK3CA (0.69) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL561236 0.83 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL561019 0.82 PIK3CA (0.68) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL2193631 0.77 PIK3CA (0.66) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL560911 0.76 PIK3CA (0.59) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL2195131 0.74 PIK3CA (0.79) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL2194146 0.73 PIK3CA (0.69) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL2191633 0.71 PIK3CA (0.72) 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 12 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
EP-2356117-B1 PYRAZOLOPYRIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2012-09-26 EP 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
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.