SCHEMBL561555

SCHEMBL561555

COc1cc(-c2cc(Oc3ccc(S(C)(=O)=O)cc3)c3cnn(C)c3n2)ccn1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.56
PIK3CA P42336 4/20 0.56
PIK3CB P42338 1/20 0.56
PIK3CG P48736 1/20 0.56
PRKDC P78527 1/20 0.56
ACVR2A P27037 6/20 0.37
PIK3R1 P27986 6/20 0.36
TGFBR2 P37173 5/20 0.36
MAPT P10636 1/20 0.36
PTGS1 P23219 1/20 0.36
S1PR1 P21453 1/20 0.36
IKBKB O14920 1/20 0.35
TGFBR1 P36897 2/20 0.35

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
SCHEMBL562074 0.89 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL562021 0.89 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL560730 0.82 PIK3CD (0.59) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL560770 0.79 PIK3CA (0.70) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL560718 0.75 ACVR2A (0.43) ACVR2ATGFBR2MAPTTGFBR1
SCHEMBL561236 0.72 PIK3CA (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL560725 0.72 PIK3CA (0.71) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL561715 0.70 PIK3CA (0.64) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL27123171 0.64 EIF2AK3 (0.41) ACVR2ATGFBR2MAPTS1PR1TGFBR1
SCHEMBL561513 0.63 GRM2 (0.43) PIK3CAMAPT

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
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
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 PIK3CD 2/4885PIK3CA 1/4885PIK3CB 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.