SCHEMBL2197380

SCHEMBL2197380

Cn1ncc2c(OCCc3cccc(C(F)(F)F)c3)nc(-c3cccc4[nH]ncc34)nc21

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.52
BCDIN3D Q7Z5W3 3/20 0.42
PIK3CD O00329 2/20 0.40
PIK3CG P48736 2/20 0.40
PIK3CB P42338 1/20 0.40
PRKDC P78527 1/20 0.40
TDO2 P48775 1/20 0.38
CYP1A2 P05177 1/20 0.38
METAP2 P50579 1/20 0.38
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
TRPV1 Q8NER1 2/20 0.36
BRAF P15056 1/20 0.35
KDR P35968 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 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
SCHEMBL2193836 0.88 PIK3CA (0.58) PIK3CABCDIN3DPIK3CDPIK3CGPIK3CB
SCHEMBL2192535 0.84 PIK3CA (0.55) PIK3CAPIK3CDPIK3CGPIK3CBPRKDC
SCHEMBL2194565 0.84 PIK3CA (0.56) PIK3CAPIK3CDPIK3CGPIK3CBPRKDC
SCHEMBL2192526 0.81 PIK3CA (0.61) PIK3CAPIK3CDPIK3CGPIK3CBPRKDC
SCHEMBL2191260 0.80 PIK3CA (0.54) PIK3CAPIK3CDPIK3CGPIK3CBPRKDC
SCHEMBL2194876 0.80 PIK3CA (0.60) PIK3CABCDIN3DPIK3CDPIK3CGPIK3CB
SCHEMBL2197300 0.80 PIK3CA (0.56) PIK3CAPIK3CDPIK3CGPIK3CBPRKDC
SCHEMBL2193563 0.80 PIK3CA (0.56) PIK3CAPIK3CDPIK3CGPIK3CBPRKDC
SCHEMBL2194992 0.78 PIK3CA (0.64) PIK3CAPIK3CDPIK3CGPIK3CBPRKDC
SCHEMBL2192150 0.77 PIK3CA (0.56) 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 1/4885BCDIN3D 1803/4885PIK3CD 2/4885

“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.