SCHEMBL114158

SCHEMBL114158

Nc1cc(-c2cccnc2F)nc(C(F)(F)F)n1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.52
PIK3CB P42338 3/20 0.52
PIK3CG P48736 3/20 0.52
CHRNA7 P36544 2/20 0.40
MAPT P10636 4/20 0.37
BACE1 P56817 2/20 0.36
NPC1 O15118 1/20 0.35
PIK3CD O00329 2/20 0.35
MTOR P42345 1/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
DHODH Q02127 1/20 0.34
CTSD P07339 1/20 0.34
TOP1 P11387 1/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
CYP11B2 P19099 1/20 0.33
FGFR3 P22607 1/20 0.33
METAP2 P50579 1/20 0.33

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
SCHEMBL114590 0.79 PIK3CA (0.53) PIK3CAPIK3CBPIK3CGMAPTBACE1
SCHEMBL6034049 0.76 PIK3CA (0.44) PIK3CAPIK3CBPIK3CGMAPTPIK3CD
SCHEMBL558697 0.73 ASIC3 (0.49) CHRNA7MAPTBACE1NPC1ALOX5AP
SCHEMBL11907126 0.72 PIK3CA (0.42) PIK3CAPIK3CBPIK3CGMAPTBACE1
SCHEMBL22117225 0.70 BACE1 (0.40) MAPTBACE1ALOX5APFEN1
SCHEMBL21611936 0.69 BACE1 (0.41) PIK3CAPIK3CBPIK3CGMAPTBACE1
SCHEMBL21908761 0.68 CDK5 (0.53) MAPTNPC1FEN1
SCHEMBL29889857 0.68 CDK5 (0.53) MAPTNPC1FEN1
SCHEMBL29706669 0.67 TSHR (0.62) MAPTNPC1ALOX5APFEN1CYP11B2
SCHEMBL21223667 0.65 PLAU (0.37) MAPTBACE1NPC1MTORALOX5AP

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 2/4885PIK3CB 13/4885PIK3CG 11/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD PIK3CA 2/4885PIK3CB 13/4885PIK3CG 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.