SCHEMBL9613355

SCHEMBL9613355

CCCCNC(=S)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.62
GAA P10253 7/20 0.62
KMT2A Q03164 5/20 0.62
MEN1 O00255 2/20 0.62
ALDH1A1 P00352 5/20 0.58
MAPT P10636 3/20 0.58
TDP1 Q9NUW8 1/20 0.58
HTT P42858 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
RECQL P46063 1/20 0.52
PTPN7 P35236 1/20 0.52
HPGD P15428 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 1/20 0.51
NFKB1 P19838 1/20 0.51
RAB9A P51151 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
LMNA P02545 3/20 0.50
RAD52 P43351 1/20 0.49

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
SCHEMBL20866570 0.82 PTPN7 (0.65) KDM4EGAAKMT2AMEN1ALDH1A1
SCHEMBL9613301 0.81 KDM4D (0.67) KDM4EGAAKMT2AMEN1ALDH1A1
SCHEMBL20866576 0.80 KDM4E (0.56) KDM4EGAAKMT2AMEN1ALDH1A1
SCHEMBL3958934 0.76 KMT2A (0.80) GAAKMT2AMEN1ALDH1A1MAPT
SCHEMBL20467453 0.76 ALDH1A1 (0.86) KDM4EGAAKMT2AMEN1ALDH1A1
SCHEMBL9613291 0.76 MAPT (0.70) KDM4EGAAKMT2AMEN1ALDH1A1
SCHEMBL22919346 0.73 PTPN7 (0.56) KDM4EGAAKMT2AMEN1ALDH1A1
SCHEMBL9613310 0.72 KDM4E (0.74) KDM4EGAAKMT2AMEN1ALDH1A1
SCHEMBL20467509 0.72 ALDH1A1 (0.84) KDM4EGAAKMT2AMEN1ALDH1A1
SCHEMBL29432958 0.72 ALDH1A1 (0.70) KDM4EGAAKMT2AMEN1ALDH1A1

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 KDM4E 1991/4885GAA 2117/4885KMT2A 3348/4885
US-20130289041-A1 QUINOXALINE COMPOUNDS AND USES THEREOF NFKBIA, RELA, MTOR KDM4E 1991/4885GAA 2117/4885KMT2A 3348/4885

“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.