SCHEMBL117205

SCHEMBL117205

Cc1ncc(N=C(c2ccccc2)c2ccccc2)cc1NS(C)(=O)=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
PIK3C3 Q8NEB9 1/20 0.42
KMT2A Q03164 2/20 0.42
PIK3CA P42336 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PIK3CG P48736 1/20 0.39
PTGS2 P35354 5/20 0.38
PTGS1 P23219 4/20 0.38
NEU3 Q9UQ49 1/20 0.37
NR3C1 P04150 1/20 0.36
BACE1 P56817 1/20 0.35

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
SCHEMBL113889 0.86 GAA (0.54) GAAPIK3C3KMT2APIK3CAALDH1A1
SCHEMBL115213 0.84 GAA (0.52) GAAKMT2APIK3CAALDH1A1MEN1
SCHEMBL24576532 0.75 PIK3C3 (0.48) PIK3C3PIK3CAPIK3CGPTGS2PTGS1
SCHEMBL116814 0.72 PIK3CA (0.42) GAAPIK3C3PIK3CAPIK3CGPTGS2
SCHEMBL3103815 0.72 PIK3CG (0.39) GAAPIK3C3PIK3CAPIK3CG
SCHEMBL14797872 0.71 NPC1 (0.39) KMT2AALDH1A1SMN1; SMN2
SCHEMBL28964104 0.71 CES2 (0.42) KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL30273394 0.71 CES2 (0.42) KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL24364780 0.70 ESR2 (0.36) KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL30470897 0.70 ESR2 (0.36) KMT2AALDH1A1MEN1SMN1; SMN2

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 GAA 807/4885PIK3C3 29/4885KMT2A 3411/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD GAA 807/4885PIK3C3 29/4885KMT2A 3411/4885

“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.