SCHEMBL9613301

SCHEMBL9613301

S=C(Nc1ccccc1)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 2/20 0.67
KDM4E B2RXH2 8/20 0.54
ALDH1A1 P00352 7/20 0.54
KMT2A Q03164 7/20 0.54
MAPT P10636 5/20 0.54
MEN1 O00255 4/20 0.54
CYP3A4 P08684 2/20 0.52
TAS2R38 P59533 1/20 0.52
HSD17B10 Q99714 1/20 0.52
GAA P10253 7/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
PTPN7 P35236 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
RAB9A P51151 3/20 0.49
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ATM Q13315 1/20 0.49
TLR9 Q9NR96 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
SCHEMBL9613291 0.88 MAPT (0.70) KDM4DKDM4EALDH1A1KMT2AMAPT
SCHEMBL9613299 0.86 KDR (0.55) KDM4DALDH1A1KMT2AMAPTMEN1
SCHEMBL9613322 0.85 PTPN7 (0.67) KDM4DKDM4EALDH1A1KMT2AMAPT
SCHEMBL9613321 0.82 KDM4D (0.60) KDM4DKDM4EALDH1A1KMT2AMAPT
SCHEMBL5995022 0.81 KDM4D (1.00) KDM4DKDM4EALDH1A1KMT2AMAPT
SCHEMBL9613355 0.81 KDM4E (0.62) KDM4DKDM4EALDH1A1KMT2AMAPT
SCHEMBL9613310 0.79 KDM4E (0.74) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL9613315 0.77 PTPN7 (0.66) KDM4DKDM4EGAAPTPN7L3MBTL1
SCHEMBL9613370 0.77 IKBKB (0.66) KDM4DKDM4EALDH1A1KMT2AMAPT
SCHEMBL20866569 0.77 PTPN7 (0.64) KDM4DKDM4EALDH1A1KMT2AMAPT

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 3685/4885KDM4E 1991/4885ALDH1A1 4080/4885
US-20130289041-A1 QUINOXALINE COMPOUNDS AND USES THEREOF NFKBIA, RELA, MTOR KDM4D 3685/4885KDM4E 1991/4885ALDH1A1 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.