SCHEMBL9613299

SCHEMBL9613299

O=[N+]([O-])c1ccc(NC(=S)Nc2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.55
ALDH1A1 P00352 6/20 0.53
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
GAA P10253 2/20 0.53
LMNA P02545 2/20 0.53
HTT P42858 2/20 0.53
NPC1 O15118 1/20 0.53
ALOX12 P18054 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
KDM4D Q6B0I6 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ACHE P22303 1/20 0.50
BACE1 P56817 1/20 0.50

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 0.89 MEN1 (0.56) KDRALDH1A1MAPTNPC1KDM4D
SCHEMBL9613301 0.86 KDM4D (0.67) ALDH1A1MAPTSMN1; SMN2GAALMNA
SCHEMBL9613360 0.85 RAB9A (0.60) ALDH1A1MAPTSMN1; SMN2GAANPC1
SCHEMBL9613392 0.84 KDR (0.43) KDRALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL9613314 0.83 MAPT (0.53) KDRALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL9613294 0.82 KDM4D (0.73) ALDH1A1MAPTHTTNPSR1TDP1
SCHEMBL12111585 0.79 KMT2A (0.67) ALDH1A1MAPTSMN1; SMN2GAAHTT
SCHEMBL12111638 0.79 KMT2A (0.67) ALDH1A1MAPTSMN1; SMN2GAAHTT
SCHEMBL28037045 0.79 KMT2A (0.67) ALDH1A1MAPTSMN1; SMN2GAAHTT
SCHEMBL28037442 0.79 KMT2A (0.67) ALDH1A1MAPTSMN1; SMN2GAAHTT

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 KDR 2125/4885ALDH1A1 4080/4885MAPT 3965/4885
US-20130289041-A1 QUINOXALINE COMPOUNDS AND USES THEREOF NFKBIA, RELA, MTOR KDR 2125/4885ALDH1A1 4080/4885MAPT 3965/4885

“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.