SCHEMBL2190358

SCHEMBL2190358

Cn1ncc2c(OCc3ccc(S(C)(=O)=O)cc3)nc(-c3cccc4[nH]ncc34)nc21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.76
PIK3CD O00329 2/20 0.58
PIK3CG P48736 2/20 0.58
PIK3CB P42338 1/20 0.58
PRKDC P78527 1/20 0.58
ATR Q13535 2/20 0.38
RAF1 P04049 2/20 0.38
BRAF P15056 2/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
PTK6 Q13882 1/20 0.36
CHEK1 O14757 1/20 0.36
PDCD1 Q15116 1/20 0.36
ATRIP Q8WXE1 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
JAK2 O60674 1/20 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
SCHEMBL2194876 0.88 PIK3CA (0.60) PIK3CAPIK3CDPIK3CGPIK3CBPRKDC
SCHEMBL2195217 0.86 PIK3CA (1.00) PIK3CAPIK3CDPIK3CGPIK3CBPRKDC
SCHEMBL2192641 0.86 PIK3CA (0.58) PIK3CAPIK3CDPIK3CGPIK3CBPRKDC
SCHEMBL2194222 0.84 PIK3CA (1.00) PIK3CAPIK3CDPIK3CGPIK3CBPRKDC
SCHEMBL2192150 0.83 PIK3CA (0.56) PIK3CAPIK3CDPIK3CGPIK3CBPRKDC
SCHEMBL2194992 0.81 PIK3CA (0.64) PIK3CAPIK3CDPIK3CGPIK3CBPRKDC
SCHEMBL2195225 0.80 PIK3CA (0.57) PIK3CAPIK3CDPIK3CGPIK3CBPRKDC
SCHEMBL2192526 0.80 PIK3CA (0.61) PIK3CAPIK3CDPIK3CGPIK3CBPRKDC
SCHEMBL2194576 0.79 PIK3CA (0.61) PIK3CAPIK3CDPIK3CGPIK3CBPRKDC
SCHEMBL2195210 0.79 PIK3CA (1.00) PIK3CAPIK3CDPIK3CGPIK3CBPRKDC

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-8987280-B2 Pyrazolopyrimidine PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2015-03-24 US claimed
EP-2252616-B1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2014-07-23 EP claimed
US-20110172216-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2011-07-14 US claimed
US-8987280-B2 Pyrazolopyrimidine PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2015-03-24 US disclosed
US-8987280-B2 Pyrazolopyrimidine PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2015-03-24 US disclosed
US-8987280-B2 Pyrazolopyrimidine PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2015-03-24 US disclosed
EP-2252616-B1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2014-07-23 EP disclosed
EP-2252616-B1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2014-07-23 EP disclosed
US-20110172216-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2011-07-14 US disclosed
US-20110172216-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2011-07-14 US disclosed
US-20110172216-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2011-07-14 US disclosed
EP-2252616-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2010-11-24 EP disclosed
WO-2009097446-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-08-06 WO disclosed
WO-2009097446-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-08-06 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-20110172216-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PI4KA PIK3CA 1/4885PIK3CD 2/4885PIK3CG 5/4885

“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.