SCHEMBL2194992

SCHEMBL2194992

COc1cccc(COc2nc(-c3cccc4[nH]ncc34)nc3c2cnn3C)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.64
PIK3CD O00329 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
PRKDC P78527 1/20 0.44
MPO P05164 1/20 0.39
PKM P14618 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 1/20 0.39
HTR2C P28335 1/20 0.39
ALDH1A2 O94788 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALDH1A3 P47895 1/20 0.38
BRD4 O60885 1/20 0.38
ALKBH1 Q13686 1/20 0.38

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 0.89 PIK3CA (0.60) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL2194146 0.86 PIK3CA (0.69) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL2192150 0.85 PIK3CA (0.56) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL2192641 0.85 PIK3CA (0.58) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL2192526 0.82 PIK3CA (0.61) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL2193836 0.81 PIK3CA (0.58) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL2190358 0.81 PIK3CA (0.76) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL2193940 0.81 PIK3CA (0.70) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL2195225 0.81 PIK3CA (0.57) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL2191633 0.79 PIK3CA (0.72) 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 11 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
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
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.