SCHEMBL561830

SCHEMBL561830

CC(=O)Nc1cccc(-c2cc(-c3cccc4[nH]ncc34)nc3c2cnn3C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.51
PIK3CD O00329 1/20 0.51
PIK3CB P42338 1/20 0.51
PIK3CG P48736 1/20 0.51
PRKDC P78527 1/20 0.51
ROCK1 Q13464 5/20 0.46
ROCK2 O75116 3/20 0.46
AURKA O14965 1/20 0.46
ERBB2 P04626 1/20 0.46
CSF1R P07333 1/20 0.46
FLT1 P17948 1/20 0.46
RPS6KB1 P23443 1/20 0.46
TYK2 P29597 1/20 0.46
AKT1 P31749 1/20 0.46
FLT4 P35916 1/20 0.46
KDR P35968 1/20 0.46
FLT3 P36888 1/20 0.46
RPS6KA3 P51812 1/20 0.46
STK3 Q13188 1/20 0.46
ERBB4 Q15303 1/20 0.46

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
SCHEMBL2195949 0.86 PIK3CA (0.61) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL561900 0.85 PIK3CA (0.58) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL560807 0.83 PIK3CA (0.51) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL561550 0.77 PIK3CA (0.75) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL2189861 0.76 PIK3CA (0.74) PIK3CAROCK1ROCK2AURKAERBB2
SCHEMBL560911 0.76 PIK3CA (0.59) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL561177 0.74 PIK3CA (0.53) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL560813 0.73 PIK3CA (0.70) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL560837 0.73 PIK3CA (0.71) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL561019 0.72 PIK3CA (0.68) 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
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
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
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.