SCHEMBL115063

SCHEMBL115063

COc1ccc(COCc2cnc(F)c(Br)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.41
APP P05067 7/20 0.41
IDO1 P14902 2/20 0.40
AGXT P21549 2/20 0.40
HDAC4 P56524 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MAOB P27338 3/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL114492 0.81 EGLN1 (0.45) EGLN1APPIDO1AGXTHDAC4
SCHEMBL3593017 0.75 CYP11B1 (0.43) APPIDO1AGXTMAOBCA1
SCHEMBL23620216 0.74 PDK2 (0.38) NPC1RAB9A
SCHEMBL34413 0.74 IDO1 (0.67) APPIDO1AGXTMAOBCA1
SCHEMBL16011534 0.72 MAOB (0.43) APPIDO1AGXTHDAC4HDAC6
SCHEMBL1310325 0.72 KMT2A (0.58) APPIDO1AGXTMAOBCA1
SCHEMBL16659360 0.72 PDGFRB (0.42) EGLN1APPIDO1AGXTHDAC4
Potassium SCHEMBL1477050 0.72 IDO1 (0.64) APPIDO1AGXTMAOBCA1
Bromide SCHEMBL28558295 0.72 IDO1 (0.64) APPIDO1AGXTMAOBCA1
Hydrochloric Acid SCHEMBL28912134 0.72 IDO1 (0.68) APPIDO1AGXTMAOBCA1

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 17 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
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-8772480-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2014-07-08 US 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-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR AMGEN INC. (US) 2013-03-28 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
US-8362241-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2013-01-29 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
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
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 US 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 EGLN1 1741/4885APP 4315/4885IDO1 4038/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD EGLN1 1741/4885APP 4315/4885IDO1 4038/4885

“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.