SCHEMBL164613

SCHEMBL164613

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.44
MTOR P42345 4/20 0.43
PIK3CD O00329 2/20 0.43
PIK3CB P42338 2/20 0.43
PIK3CG P48736 2/20 0.43
FAAH O00519 2/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HRH1 P35367 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
PRKAA2 P54646 2/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
PTGS2 P35354 1/20 0.39
LSS P48449 1/20 0.39
PDE1B Q01064 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
SCHEMBL116034 0.90 PIK3CA (0.43) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3112089 0.88 DRD3 (0.40) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL167498 0.87 PIK3CA (0.51) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL115606 0.86 PIK3CA (0.47) PIK3CAPIK3CDPIK3CBPIK3CGPDE1B
SCHEMBL165835 0.86 PIK3CA (0.47) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL114787 0.86 FAAH (0.41) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL167304 0.85 PIK3CA (0.66) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3111597 0.85 PIK3CA (0.43) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL163508 0.85 PIK3CA (0.55) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3108787 0.83 PIK3CA (0.41) PIK3CAMEN1KMT2AACHE

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 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.