SCHEMBL9613294

SCHEMBL9613294

O=[N+]([O-])c1ccc(NC(=S)Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 4/20 0.73
MEN1 O00255 5/20 0.62
ALDH1A1 P00352 5/20 0.62
KMT2A Q03164 5/20 0.62
KDM4E B2RXH2 4/20 0.62
MAPT P10636 4/20 0.62
HPGD P15428 4/20 0.62
USP2 O75604 2/20 0.62
TNNI3 P19429 2/20 0.62
TNNT2 P45379 2/20 0.62
TNNC1 P63316 2/20 0.62
PTPN7 P35236 12/20 0.60
IKBKB O14920 2/20 0.58
HSPD1 P10809 3/20 0.57
HSPE1 P61604 3/20 0.57
CDC7 O00311 3/20 0.56
PLK4 O00444 3/20 0.56
DYRK3 O43781 3/20 0.56
PRKD3 O94806 3/20 0.56
MAP4K4 O95819 3/20 0.56

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
SCHEMBL9613391 0.86 KDM4D (0.55) KDM4DMEN1ALDH1A1KMT2AKDM4E
SCHEMBL5995022 0.85 KDM4D (1.00) KDM4DMEN1ALDH1A1KMT2AKDM4E
SCHEMBL20272250 0.83 KDM4D (0.82) KDM4DMEN1ALDH1A1KMT2AKDM4E
SCHEMBL9613317 0.83 KDM4D (0.82) KDM4DMEN1ALDH1A1KMT2AKDM4E
SCHEMBL9613299 0.82 KDR (0.55) KDM4DMEN1ALDH1A1KMT2AMAPT
SCHEMBL6234684 0.81 CHEK1 (0.60) KDM4DMEN1ALDH1A1KMT2AKDM4E
SCHEMBL9613314 0.79 MAPT (0.53) KDM4DMEN1ALDH1A1KMT2AKDM4E
SCHEMBL5992672 0.76 PTPN7 (0.80) KDM4DMEN1ALDH1A1KMT2AKDM4E
SCHEMBL31701626 0.76 MEN1 (0.62) KDM4DMEN1ALDH1A1KMT2AKDM4E
SCHEMBL6238251 0.76 PTPN7 (1.00) KDM4DMEN1ALDH1A1KMT2AKDM4E

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 KDM4D 3685/4885MEN1 3589/4885ALDH1A1 4080/4885
US-20130289041-A1 QUINOXALINE COMPOUNDS AND USES THEREOF NFKBIA, RELA, MTOR KDM4D 3685/4885MEN1 3589/4885ALDH1A1 4080/4885

“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.