SCHEMBL169221

SCHEMBL169221

COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(CN4CCN(C(=O)OC(C)(C)C)C[C@H]4C)cnc3F)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 1/20 0.39
GPR119 Q8TDV5 7/20 0.38
DRD3 P35462 1/20 0.38
PIK3CA P42336 4/20 0.37
PIK3CD O00329 2/20 0.37
PIK3R1 P27986 2/20 0.37
PIK3CB P42338 2/20 0.37
PIK3CG P48736 2/20 0.37
SLC2A1 P11166 1/20 0.37
MTOR P42345 2/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL166637 1.00 TBK1 (0.39) TBK1GPR119DRD3PIK3CAPIK3CD
SCHEMBL166638 1.00 TBK1 (0.39) TBK1GPR119DRD3PIK3CAPIK3CD
SCHEMBL3112089 0.91 DRD3 (0.40) DRD3PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL116034 0.89 PIK3CA (0.43) TBK1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3116960 0.86 PIK3CA (0.55) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL165015 0.86 PIK3CA (0.55) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL169383 0.85 GPR119 (0.37) GPR119PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL169384 0.85 GPR119 (0.37) GPR119PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL168318 0.85 GPR119 (0.37) GPR119PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL168319 0.85 GPR119 (0.37) GPR119PIK3CAPIK3CDPIK3R1PIK3CB

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 TBK1 437/4885GPR119 618/4885DRD3 4731/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD TBK1 437/4885GPR119 618/4885DRD3 4731/4885

“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.