SCHEMBL114523

SCHEMBL114523

CC(=O)Nc1ccc(Nc2ncccc2-c2ncnc3c2ncn3C2CCCCO2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.51
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP2C19 P33261 1/20 0.42
FLT3 P36888 4/20 0.40
TP53 P04637 1/20 0.38
CYP2C9 P11712 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
APEX1 P27695 1/20 0.38
PI4KA P42356 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
ADCY1 Q08828 1/20 0.38
PI4K2B Q8TCG2 1/20 0.38
PI4K2A Q9BTU6 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 0.84 PIK3CG (0.49) MTORNPC1RAB9ASMN1; SMN2CYP2C19
SCHEMBL115603 0.81 PIK3CA (0.49) MTORNPC1RAB9ASMN1; SMN2CYP2C19
SCHEMBL29877745 0.78 BRAF (0.47) NPC1RAB9ASMN1; SMN2CYP2C19FLT3
SCHEMBL29877668 0.78 BRAF (0.53) NPC1RAB9ASMN1; SMN2BRAF
SCHEMBL29877738 0.78 BRAF (0.53) BRAF
SCHEMBL29877540 0.78 BRAF (0.51) NPC1RAB9ASMN1; SMN2CYP2C19TP53
SCHEMBL29877687 0.78 BRAF (0.54) BRAF
SCHEMBL29878196 0.78 BRAF (0.46) NPC1RAB9ASMN1; SMN2CYP2C19FLT3
SCHEMBL29877555 0.78 BRAF (0.46) NPC1RAB9ASMN1; SMN2CYP2C19FLT3
SCHEMBL29877589 0.78 SMN1; SMN2 (0.45) NPC1RAB9ASMN1; SMN2CYP2C19FLT3

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 MTOR 1/4885NPC1 479/4885RAB9A 545/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD MTOR 1/4885NPC1 479/4885RAB9A 545/4885

“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.