SCHEMBL2192118

SCHEMBL2192118

Cn1ncc2c(NCCC[S+](C)[O-])nc(-c3cccc4[nH]ncc34)nc21

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.72
PIK3CD O00329 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
PRKDC P78527 1/20 0.41
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
PDE2A O00408 1/20 0.35
TP53 P04637 1/20 0.34

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
SCHEMBL2190243 0.85 PIK3CA (0.74) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL2190415 0.85 PIK3CA (0.74) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL2190505 0.84 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL2192699 0.84 PIK3CA (0.72) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL2193743 0.84 PIK3CA (0.72) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL2191244 0.83 PIK3CA (0.71) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL2192563 0.81 PIK3CA (0.69) PIK3CACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2193794 0.81 PIK3CA (0.69) PIK3CATP53
SCHEMBL2193465 0.80 PIK3CA (0.67) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL2191124 0.79 PIK3CA (0.68) PIK3CACYP1A2CYP2C19

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 2/4885PIK3CB 4/4885

“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.