SCHEMBL9613352

SCHEMBL9613352

O=C(Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 10/20 0.73
TDP1 Q9NUW8 4/20 0.73
PPIA P62937 2/20 0.70
PPID Q08752 2/20 0.70
HSPD1 P10809 1/20 0.70
HSPE1 P61604 1/20 0.70
DUSP3 P51452 1/20 0.70
MEN1 O00255 3/20 0.69
POLB P06746 3/20 0.69
HPGD P15428 3/20 0.69
BLM P54132 3/20 0.69
KMT2A Q03164 3/20 0.69
L3MBTL1 Q9Y468 3/20 0.69
KDM4E B2RXH2 2/20 0.69
ALDH1A1 P00352 2/20 0.69
MAPT P10636 2/20 0.69
THRB P10828 2/20 0.69
ALOX15 P16050 2/20 0.69
MAPK1 P28482 2/20 0.69
CASP1 P29466 2/20 0.69

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
SCHEMBL9613292 0.83 FAAH (0.69) MEN1POLBHPGDKMT2AKDM4E
SCHEMBL9613308 0.83 TDP1 (1.00) PTPN7TDP1PPIAPPIDHSPD1
SCHEMBL13856682 0.82 PTPN7 (1.00) PTPN7TDP1PPIAPPIDHSPD1
SCHEMBL9613368 0.81 PTPN7 (1.00) PTPN7TDP1PPIAPPIDHSPD1
SCHEMBL2116513 0.80 PTPN7 (1.00) PTPN7TDP1PPIAPPIDHSPD1
SCHEMBL830207 0.77 FAAH (0.74) MEN1POLBKMT2ASMN1; SMN2FAAH
SCHEMBL3600315 0.75 FAAH (1.00) MEN1POLBKMT2AKDM4ESMN1; SMN2
SCHEMBL6238251 0.74 PTPN7 (1.00) PTPN7TDP1PPIAPPIDHSPD1
SCHEMBL13234936 0.72 FAAH (0.82) MEN1POLBKMT2AKDM4EALDH1A1
SCHEMBL3598122 0.72 FAAH (1.00) TDP1MEN1POLBKMT2AKDM4E

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 PTPN7 1891/4885TDP1 3381/4885PPIA 1747/4885
US-20130289041-A1 QUINOXALINE COMPOUNDS AND USES THEREOF NFKBIA, RELA, MTOR PTPN7 1891/4885TDP1 3381/4885PPIA 1747/4885

“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.