SCHEMBL114569

SCHEMBL114569

COc1ccc(Nc2ncccc2-c2nc(C)nc3c2ncn3C2CCCCO2)cn1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.50
PIK3CD O00329 8/20 0.50
PIK3CG P48736 8/20 0.50
PIK3CB P42338 7/20 0.50
MTOR P42345 6/20 0.50
FLT3 P36888 4/20 0.45
YTHDC1 Q96MU7 1/20 0.41
PDGFRA P16234 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
SCHEMBL115587 0.89 PIK3CG (0.49) PIK3CAPIK3CDPIK3CGPIK3CBMTOR
SCHEMBL116075 0.88 PIK3CA (0.51) PIK3CAPIK3CDPIK3CGPIK3CBMTOR
SCHEMBL116537 0.88 FLT3 (0.49) PIK3CAPIK3CDPIK3CGPIK3CBMTOR
SCHEMBL117532 0.88 PIK3CA (0.51) PIK3CAPIK3CDPIK3CGPIK3CBMTOR
SCHEMBL164330 0.87 FLT3 (0.43) PIK3CAPIK3CDPIK3CGPIK3CBMTOR
SCHEMBL117130 0.87 PIK3CA (0.52) PIK3CAMTORFLT3YTHDC1
SCHEMBL116967 0.86 PIK3CA (0.53) PIK3CAPIK3CDPIK3CGPIK3CBMTOR
SCHEMBL116174 0.86 PIK3CA (0.53) PIK3CAPIK3CDPIK3CGPIK3CBMTOR
SCHEMBL113367 0.86 PIK3CA (0.44) PIK3CAPIK3CDPIK3CGPIK3CBMTOR
SCHEMBL115335 0.85 FLT3 (0.47) PIK3CAMTORFLT3

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 2/4885PIK3CD 3/4885PIK3CG 11/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD PIK3CA 2/4885PIK3CD 3/4885PIK3CG 11/4885

“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.