SCHEMBL114787

SCHEMBL114787

COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(-c3cc(CN4CCN(C(=O)O)CC4)cnc3F)nc(C)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.41
HRH1 P35367 4/20 0.41
HRH4 Q9H3N8 4/20 0.41
BCHE P06276 1/20 0.40
PIK3CA P42336 3/20 0.39
PTGS2 P35354 1/20 0.39
PIK3CD O00329 2/20 0.38
PIK3CB P42338 2/20 0.38
MTOR P42345 2/20 0.38
PIK3CG P48736 2/20 0.38
PDE1B Q01064 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
MCHR1 Q99705 1/20 0.37
PRKAA2 P54646 1/20 0.37

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
SCHEMBL115817 0.90 IDO1 (0.41) FAAHHRH1HRH4PIK3CAPTGS2
SCHEMBL115367 0.87 PIK3CA (0.49) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL113646 0.87 PIK3CA (0.37) FAAHHRH1HRH4PIK3CAPIK3CD
SCHEMBL164613 0.86 PIK3CA (0.44) FAAHHRH1HRH4BCHEPIK3CA
SCHEMBL3106844 0.85 PIK3CA (0.39) HRH1HRH4PIK3CAPIK3CDMTOR
SCHEMBL3113004 0.80 PIK3CA (0.39) HRH1HRH4PIK3CAPIK3CDPIK3CB
SCHEMBL114964 0.79 AVPR1B (0.38) PIK3CA
SCHEMBL116034 0.77 PIK3CA (0.43) FAAHHRH1HRH4PIK3CAPIK3CD
SCHEMBL116637 0.76 TBK1 (0.38) PIK3CAPIK3CDPIK3CG
SCHEMBL3112089 0.75 DRD3 (0.40) HRH1HRH4PIK3CAPIK3CDPIK3CB

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 6 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
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 FAAH 4767/4885HRH1 3323/4885HRH4 3774/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD FAAH 4767/4885HRH1 3323/4885HRH4 3774/4885

“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.