SCHEMBL116034

SCHEMBL116034

COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(CN4CCN(C(=O)OC(C)(C)C)CC4)cnc3F)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.43
MTOR P42345 5/20 0.43
PIK3CD O00329 2/20 0.43
PIK3CB P42338 2/20 0.43
PIK3CG P48736 2/20 0.43
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
IDO2 Q6ZQW0 1/20 0.41
FAAH O00519 1/20 0.39
GPR4 P46093 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC2A1 P11166 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
KDM1A O60341 1/20 0.38
PDE1B Q01064 1/20 0.38
HRH1 P35367 1/20 0.38
HRH4 Q9H3N8 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
SCHEMBL164613 0.90 PIK3CA (0.44) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL169221 0.89 TBK1 (0.39) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL166638 0.89 TBK1 (0.39) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL166637 0.89 TBK1 (0.39) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL115817 0.87 IDO1 (0.41) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL166567 0.86 PIK3CA (0.41) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL166566 0.86 PIK3CA (0.41) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL114900 0.86 PIK3CA (0.62) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL166887 0.86 PIK3CA (0.54) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL167498 0.83 PIK3CA (0.51) PIK3CAMTORPIK3CDPIK3CBPIK3CG

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424859-B1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC (US) 2015-04-08 EP disclosed
US-8772480-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2014-07-08 US disclosed
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR AMGEN INC. (US) 2013-03-28 US disclosed
US-8362241-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2013-01-29 US disclosed
EP-2424859-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR Amgen, Inc (US) 2012-03-07 EP disclosed
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 WO disclosed
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 US 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 (2 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-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR MTOR, PIK3CA, PIK3CD PIK3CA 2/4885MTOR 1/4885PIK3CD 3/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD PIK3CA 2/4885MTOR 1/4885PIK3CD 3/4885

“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.