SCHEMBL9613360

SCHEMBL9613360

O=C(Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.60
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
NPC1 O15118 3/20 0.60
MITF O75030 1/20 0.60
POLB P06746 1/20 0.60
MAPT P10636 6/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
TP53 P04637 1/20 0.59
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 3/20 0.56
GAA P10253 2/20 0.56
ABCG2 Q9UNQ0 1/20 0.56
SAE1 Q9UBE0 1/20 0.54
UBA2 Q9UBT2 1/20 0.54
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
CA7 P43166 1/20 0.52
ALOX5 P09917 1/20 0.52

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
SCHEMBL9613320 0.88 MEN1 (0.56) RAB9AMEN1KMT2ANPC1POLB
SCHEMBL9613299 0.85 KDR (0.55) MEN1KMT2ANPC1MAPTSMN1; SMN2
SCHEMBL15666198 0.82 ALDH1A1 (0.74) RAB9AMEN1KMT2ANPC1POLB
SCHEMBL20467545 0.79 ALDH1A1 (0.79) RAB9AMEN1KMT2ANPC1POLB
SCHEMBL28037442 0.78 KMT2A (0.67) RAB9AMEN1KMT2ANPC1POLB
SCHEMBL12111638 0.78 KMT2A (0.67) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL12111585 0.78 KMT2A (0.67) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL12111677 0.78 KMT2A (0.67) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL28037045 0.78 KMT2A (0.67) RAB9AMEN1KMT2ANPC1POLB
SCHEMBL12111586 0.78 KMT2A (0.67) RAB9AMEN1KMT2ANPC1MAPT

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 RAB9A 960/4885MEN1 3589/4885KMT2A 3348/4885
US-20130289041-A1 QUINOXALINE COMPOUNDS AND USES THEREOF NFKBIA, RELA, MTOR RAB9A 960/4885MEN1 3589/4885KMT2A 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.