SCHEMBL9613363

SCHEMBL9613363

O=C(Cc1ccccc1)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.60
▸ NPC1 O15118 4/20 0.60
▸ RAB9A P51151 4/20 0.60
▸ NAMPT P43490 1/20 0.56
▸ ALDH1A1 P00352 6/20 0.55
▸ HPGD P15428 4/20 0.55
▸ POLB P06746 2/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ PPARG P37231 1/20 0.55
▸ NR2E3 Q9Y5X4 1/20 0.55
▸ NCOR2 Q9Y618 1/20 0.55
▸ USP2 O75604 1/20 0.55
▸ ESR1 P03372 1/20 0.55
▸ EPHX2 P34913 1/20 0.54
▸ CFD P00746 1/20 0.53
▸ AURKA O14965 1/20 0.53
▸ ROCK2 O75116 1/20 0.53
▸ KMT2A Q03164 4/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 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
SCHEMBL9613322 0.80 PTPN7 (0.67) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL9613310 0.80 KDM4E (0.74) KDM4ENPC1RAB9ANAMPTALDH1A1
SCHEMBL20866569 0.78 PTPN7 (0.64) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL2246316 0.77 ALDH1A1 (0.87) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL9613370 0.76 IKBKB (0.66) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL6979591 0.76 NPC1 (0.67) KDM4ENPC1RAB9ANAMPTALDH1A1
SCHEMBL9613315 0.76 PTPN7 (0.66) KDM4EGAALMNAL3MBTL1PTPN7
SCHEMBL6098738 0.75 CFD (0.81) KDM4EALDH1A1HPGDPOLBUSP2
SCHEMBL23921563 0.75 KDM4E (0.50) KDM4ENPC1RAB9ANAMPTALDH1A1
SCHEMBL2529343 0.75 RAB9A (1.00) KDM4ENPC1RAB9ANAMPTALDH1A1

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 1991/4885NPC1 1956/4885RAB9A 960/4885
US-20130289041-A1 QUINOXALINE COMPOUNDS AND USES THEREOF NFKBIA, RELA, MTOR KDM4E 1991/4885NPC1 1956/4885RAB9A 960/4885

“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.

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