SCHEMBL9613399

SCHEMBL9613399

O=C(Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCCc2cc(Br)ccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.62
HSPD1 P10809 2/20 0.62
HSPE1 P61604 2/20 0.62
PPIA P62937 1/20 0.62
PPID Q08752 1/20 0.62
PTPN7 P35236 10/20 0.61
MEN1 O00255 5/20 0.61
POLB P06746 5/20 0.61
BLM P54132 5/20 0.61
KMT2A Q03164 5/20 0.61
L3MBTL1 Q9Y468 5/20 0.61
HPGD P15428 4/20 0.61
ALDH1A1 P00352 4/20 0.61
MAPT P10636 4/20 0.61
KDM4D Q6B0I6 3/20 0.61
ALOX15 P16050 3/20 0.61
CASP1 P29466 3/20 0.61
HSD17B10 Q99714 3/20 0.61
KDM4E B2RXH2 3/20 0.61
THRB P10828 3/20 0.61

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
SCHEMBL9613330 0.95 TDP1 (0.62) TDP1HSPD1HSPE1PPIAPPID
SCHEMBL9613308 0.77 TDP1 (1.00) TDP1HSPD1HSPE1PPIAPPID
SCHEMBL13856682 0.77 PTPN7 (1.00) TDP1HSPD1HSPE1PPIAPPID
SCHEMBL9613384 0.75 IKBKB (1.00) TDP1HSPD1HSPE1PPIAPPID
SCHEMBL9613368 0.74 PTPN7 (1.00) TDP1HSPD1HSPE1PPIAPPID
SCHEMBL9613319 0.73 IKBKB (0.83) TDP1HSPD1HSPE1PPIAPPID
SCHEMBL9613317 0.71 KDM4D (0.82) TDP1HSPD1HSPE1PPIAPPID
SCHEMBL9613300 0.71 IKBKB (0.74) TDP1HSPD1HSPE1PPIAPPID
SCHEMBL9613359 0.70 PTPN7 (0.77) TDP1HSPD1HSPE1PPIAPPID
SCHEMBL29082759 0.70 PDK1 (0.59) MEN1POLBKMT2AALDH1A1MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353094-B2 Substituted quinoxalines as kinase inhibitors BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2016-05-31 US disclosed
US-20150274709-A1 QUINOXALINE COMPOUNDS AND USES THEREOF THE BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM 2015-10-01 US disclosed
US-8993758-B2 Substituted quinoxalines and uses thereof BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2015-03-31 US disclosed
US-20130289041-A1 QUINOXALINE COMPOUNDS AND USES THEREOF BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2013-10-31 US disclosed
WO-2012071414-A2 QUINOXALINE COMPOUNDS AND USES THEREOF BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2012-05-31 WO 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-20150274709-A1 QUINOXALINE COMPOUNDS AND USES THEREOF NFKBIA, RELA, MTOR TDP1 3381/4885HSPD1 1050/4885HSPE1 762/4885
US-20130289041-A1 QUINOXALINE COMPOUNDS AND USES THEREOF NFKBIA, RELA, MTOR TDP1 3381/4885HSPD1 1050/4885HSPE1 762/4885

“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.