SCHEMBL9613331

SCHEMBL9613331

Cc1nc2ccc(NC(=O)N3CCCCC3)cc2nc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 1.00
ALDH1A1 P00352 9/20 1.00
HPGD P15428 6/20 1.00
RAB9A P51151 6/20 1.00
GAA P10253 2/20 1.00
GLA P06280 2/20 1.00
KLK7 P49862 1/20 1.00
HSD17B10 Q99714 6/20 0.76
CASP1 P29466 4/20 0.76
CASP7 P55210 2/20 0.76
MAPT P10636 4/20 0.73
ATM Q13315 1/20 0.73
KMT2A Q03164 3/20 0.69
SMN1; SMN2 Q16637 3/20 0.65
THRB P10828 2/20 0.65
NPC1 O15118 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
HTT P42858 2/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
MEN1 O00255 2/20 0.63

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
SCHEMBL9613313 0.99 KDM4E (0.97) KDM4EALDH1A1HPGDRAB9AGAA
SCHEMBL20866575 0.81 ALDH1A1 (0.71) KDM4EALDH1A1HPGDRAB9AGAA
SCHEMBL9613309 0.80 TDP1 (0.67) KDM4EALDH1A1HPGDRAB9AGAA
SCHEMBL13856682 0.78 PTPN7 (1.00) KDM4EALDH1A1HPGDRAB9AGAA
SCHEMBL9613292 0.78 FAAH (0.69) KDM4EALDH1A1HPGDRAB9AGAA
SCHEMBL9613308 0.76 TDP1 (1.00) KDM4EALDH1A1HPGDHSD17B10CASP1
SCHEMBL9613366 0.76 KDM4E (0.75) KDM4EALDH1A1HPGDRAB9AGAA
SCHEMBL8363751 0.76 RAB9A (1.00) ALDH1A1RAB9AGAAKMT2ASMN1; SMN2
SCHEMBL17346760 0.75 RAB9A (0.78) KDM4EALDH1A1HPGDRAB9AGAA
SCHEMBL6037506 0.74 RAB9A (0.96) ALDH1A1RAB9AKMT2ASMN1; SMN2NPC1

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 1991/4885ALDH1A1 4080/4885HPGD 833/4885
US-20130289041-A1 QUINOXALINE COMPOUNDS AND USES THEREOF NFKBIA, RELA, MTOR KDM4E 1991/4885ALDH1A1 4080/4885HPGD 833/4885

“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.