SCHEMBL2193589

SCHEMBL2193589

Cn1ncc2c(-c3cccc(CN4CCN(S(C)(=O)=O)CC4)c3)nc(-c3cccc4[nH]ncc34)nc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.62
PIK3CB P42338 4/20 0.51
PIK3CD O00329 8/20 0.50
PIK3R1 P27986 5/20 0.50
KCNH2 Q12809 2/20 0.50
PIK3CG P48736 2/20 0.50
PRKDC P78527 2/20 0.50
PIK3C2A O00443 1/20 0.50
PLK4 O00444 1/20 0.50
PIK3R2 O00459 1/20 0.50
PIK3C2B O00750 1/20 0.50
GAK O14976 1/20 0.50
EPHB6 O15197 1/20 0.50
DAPK3 O43293 1/20 0.50
STK16 O75716 1/20 0.50
PIK3C2G O75747 1/20 0.50
NTRK1 P04629 1/20 0.50
NQO2 P16083 1/20 0.50
CSNK2A2 P19784 1/20 0.50
JAK1 P23458 1/20 0.50

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
SCHEMBL2195164 0.92 PIK3CA (0.69) PIK3CAPIK3CBPIK3CDPIK3R1KCNH2
SCHEMBL2193604 0.81 PIK3CA (0.65) PIK3CAPIK3CBPIK3CDPIK3CGPRKDC
SCHEMBL2193765 0.81 PIK3CA (0.82) PIK3CAPIK3CBPIK3CDPIK3R1PIK3CG
SCHEMBL2193551 0.81 PIK3CA (0.69) PIK3CAPIK3CBPIK3CDPIK3CGPRKDC
SCHEMBL2194421 0.80 PIK3CA (0.61) PIK3CAPIK3CBPIK3CDPIK3CGPRKDC
SCHEMBL2194200 0.80 PIK3CA (0.61) PIK3CAPIK3CBPIK3CDPIK3R1KCNH2
SCHEMBL2194576 0.79 PIK3CA (0.61) PIK3CAPIK3CBPIK3CDPIK3R1KCNH2
SCHEMBL2194222 0.77 PIK3CA (1.00) PIK3CAPIK3CBPIK3CDPIK3CGPRKDC
SCHEMBL13747256 0.77 PIK3CA (0.66) PIK3CAPIK3CBPIK3CDPIK3CGPRKDC
SCHEMBL2193940 0.75 PIK3CA (0.70) PIK3CAPIK3CBPIK3CDPIK3CGPRKDC

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 12 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
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 1/4885PIK3CB 4/4885PIK3CD 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.