SCHEMBL561243

SCHEMBL561243

COc1cccc(Oc2cc(-c3cccc4[nH]ncc34)nc3c2cnn3C)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 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 0.43
MEN1 O00255 3/20 0.41
MAPT P10636 3/20 0.41
ALOX15 P16050 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
USP2 O75604 2/20 0.41
TP53 P04637 2/20 0.41
ALOX12 P18054 2/20 0.41
MAPK1 P28482 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL560480 0.90 PIK3CA (0.71) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL561019 0.84 PIK3CA (0.68) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL561236 0.83 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL2194146 0.82 PIK3CA (0.69) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL561252 0.82 PIK3CA (0.73) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL560911 0.78 PIK3CA (0.59) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL2193940 0.77 PIK3CA (0.70) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL28635804 0.74 BRAF (0.51) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL2191490 0.74 PIK3CA (0.69) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL2192556 0.74 PIK3CA (1.00) PIK3CAHTR2C

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 13 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
EP-2356117-A1 PYRAZOLOPYRIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-08-17 EP 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.