SCHEMBL115587

SCHEMBL115587

COc1ccc(Nc2ncccc2-c2ncnc3c2ncn3C2CCCCO2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 5/20 0.49
PIK3CD O00329 4/20 0.49
PIK3CA P42336 4/20 0.49
MTOR P42345 3/20 0.49
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP2C19 P33261 1/20 0.45
FLT3 P36888 4/20 0.42
PIK3CB P42338 3/20 0.42
TP53 P04637 1/20 0.41
CYP2C9 P11712 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
APEX1 P27695 1/20 0.41
PI4KA P42356 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL114569 0.89 PIK3CA (0.50) PIK3CGPIK3CDPIK3CAMTORFLT3
SCHEMBL114523 0.84 MTOR (0.51) PIK3CAMTORNPC1RAB9ASMN1; SMN2
SCHEMBL29877589 0.80 SMN1; SMN2 (0.45) PIK3CANPC1RAB9ASMN1; SMN2CYP2C19
SCHEMBL23015978 0.80 BRAF (0.41) NPC1RAB9ASMN1; SMN2CYP2C19FLT3
SCHEMBL30580655 0.79 NPC1 (0.45) NPC1RAB9ASMN1; SMN2CYP2C19FLT3
SCHEMBL29877362 0.79 NPC1 (0.45) NPC1RAB9ASMN1; SMN2CYP2C19FLT3
SCHEMBL30580662 0.79 NPC1 (0.45) NPC1RAB9ASMN1; SMN2CYP2C19FLT3
SCHEMBL24885766 0.79 NPC1 (0.45) NPC1RAB9ASMN1; SMN2CYP2C19FLT3
SCHEMBL116075 0.77 PIK3CA (0.51) PIK3CGPIK3CDPIK3CAMTORFLT3
SCHEMBL29877876 0.77 BRAF (0.49) NPC1RAB9ASMN1; SMN2CYP2C19TP53

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

“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.