SCHEMBL9613319

SCHEMBL9613319

O=C(Nc1cccc(Br)c1)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.83
PTPN7 P35236 15/20 0.78
KDM4D Q6B0I6 2/20 0.78
HSPD1 P10809 2/20 0.71
HSPE1 P61604 2/20 0.71
MEN1 O00255 5/20 0.65
ALDH1A1 P00352 5/20 0.65
POLB P06746 5/20 0.65
BLM P54132 5/20 0.65
KMT2A Q03164 5/20 0.65
MCL1 Q07820 4/20 0.65
L3MBTL1 Q9Y468 4/20 0.65
MAPT P10636 4/20 0.65
KDM4E B2RXH2 3/20 0.65
THRB P10828 3/20 0.65
RECQL P46063 3/20 0.65
TDP1 Q9NUW8 3/20 0.65
HPGD P15428 2/20 0.65
APEX1 P27695 2/20 0.65
USP2 O75604 1/20 0.65

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
SCHEMBL9613384 0.91 IKBKB (1.00) IKBKBPTPN7KDM4DHSPD1HSPE1
SCHEMBL6238251 0.88 PTPN7 (1.00) IKBKBPTPN7KDM4DHSPD1HSPE1
SCHEMBL9613318 0.84 IKBKB (0.76) IKBKBPTPN7KDM4DHSPD1HSPE1
SCHEMBL9613383 0.83 PTPN7 (0.82) IKBKBPTPN7KDM4DHSPD1HSPE1
SCHEMBL9613324 0.83 PTPN7 (0.82) IKBKBPTPN7KDM4DHSPD1HSPE1
SCHEMBL9613375 0.83 PTPN7 (1.00) IKBKBPTPN7KDM4DHSPD1HSPE1
SCHEMBL9613371 0.83 IKBKB (0.85) IKBKBPTPN7KDM4DHSPD1HSPE1
SCHEMBL9613373 0.83 IKBKB (0.85) IKBKBPTPN7KDM4DHSPD1HSPE1
SCHEMBL9613362 0.82 PTPN7 (0.88) IKBKBPTPN7KDM4DHSPD1HSPE1
SCHEMBL9613329 0.81 PTPN7 (0.79) IKBKBPTPN7KDM4DHSPD1HSPE1

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 IKBKB 11/4885PTPN7 1891/4885KDM4D 3685/4885
US-20130289041-A1 QUINOXALINE COMPOUNDS AND USES THEREOF NFKBIA, RELA, MTOR IKBKB 11/4885PTPN7 1891/4885KDM4D 3685/4885

“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.