SCHEMBL9613359

SCHEMBL9613359

CC(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 14/20 0.77
HSPD1 P10809 3/20 0.77
HSPE1 P61604 3/20 0.77
CDC7 O00311 3/20 0.75
PLK4 O00444 3/20 0.75
DYRK3 O43781 3/20 0.75
PRKD3 O94806 3/20 0.75
MAP4K4 O95819 3/20 0.75
AKT1 P31749 3/20 0.75
MAPKAPK2 P49137 3/20 0.75
CLK2 P49760 3/20 0.75
CSNK2A1 P68400 3/20 0.75
MAP4K2 Q12851 3/20 0.75
CAMK2D Q13557 3/20 0.75
MAPKAPK3 Q16644 3/20 0.75
TAOK1 Q7L7X3 3/20 0.75
MAPKAPK5 Q8IW41 3/20 0.75
AURKB Q96GD4 3/20 0.75
PBK Q96KB5 3/20 0.75
SRPK1 Q96SB4 3/20 0.75

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
SCHEMBL9613329 0.85 PTPN7 (0.79) PTPN7HSPD1HSPE1CDC7PLK4
SCHEMBL9613324 0.85 PTPN7 (0.82) PTPN7HSPD1HSPE1CDC7PLK4
SCHEMBL6238251 0.84 PTPN7 (1.00) PTPN7HSPD1HSPE1CDC7PLK4
SCHEMBL12501644 0.83 CDC7 (1.00) PTPN7HSPD1HSPE1CDC7PLK4
SCHEMBL15475301 0.83 CDC7 (1.00) PTPN7HSPD1HSPE1CDC7PLK4
SCHEMBL12501671 0.83 PTPN7 (0.71) PTPN7HSPD1HSPE1CDC7PLK4
SCHEMBL9613384 0.82 IKBKB (1.00) PTPN7HSPD1HSPE1CDC7PLK4
SCHEMBL9613375 0.82 PTPN7 (1.00) PTPN7HSPD1HSPE1CDC7PLK4
SCHEMBL9613383 0.82 PTPN7 (0.82) PTPN7HSPD1HSPE1CDC7PLK4
SCHEMBL9613328 0.82 PTPN7 (1.00) PTPN7HSPD1HSPE1CDC7PLK4

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 PTPN7 1891/4885HSPD1 1050/4885HSPE1 762/4885
US-20130289041-A1 QUINOXALINE COMPOUNDS AND USES THEREOF NFKBIA, RELA, MTOR PTPN7 1891/4885HSPD1 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.