SCHEMBL9613368

SCHEMBL9613368

O=C(Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 8/20 1.00
CACNA1B Q00975 1/20 1.00
APBA1 Q02410 1/20 1.00
TDP1 Q9NUW8 4/20 0.83
HSPD1 P10809 2/20 0.83
HSPE1 P61604 2/20 0.83
PPIA P62937 1/20 0.83
PPID Q08752 1/20 0.83
MEN1 O00255 7/20 0.82
KMT2A Q03164 7/20 0.82
ALDH1A1 P00352 6/20 0.82
MAPT P10636 6/20 0.82
HPGD P15428 5/20 0.82
KDM4E B2RXH2 5/20 0.82
POLB P06746 4/20 0.82
BLM P54132 4/20 0.82
L3MBTL1 Q9Y468 4/20 0.82
CASP1 P29466 4/20 0.82
HSD17B10 Q99714 4/20 0.82
ALOX15 P16050 3/20 0.82

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
SCHEMBL9613308 0.91 TDP1 (1.00) PTPN7CACNA1BAPBA1TDP1HSPD1
SCHEMBL13856682 0.90 PTPN7 (1.00) PTPN7CACNA1BAPBA1TDP1HSPD1
SCHEMBL9613352 0.81 PTPN7 (0.73) PTPN7CACNA1BAPBA1TDP1HSPD1
SCHEMBL2116513 0.80 PTPN7 (1.00) PTPN7CACNA1BAPBA1TDP1HSPD1
SCHEMBL9613359 0.78 PTPN7 (0.77) PTPN7CACNA1BAPBA1TDP1HSPD1
SCHEMBL5997551 0.77 KDM4D (0.98) PTPN7CACNA1BAPBA1TDP1HSPD1
SCHEMBL5992705 0.76 KDM4D (1.00) PTPN7CACNA1BAPBA1TDP1HSPD1
SCHEMBL6238251 0.76 PTPN7 (1.00) PTPN7CACNA1BAPBA1TDP1HSPD1
SCHEMBL9613330 0.75 TDP1 (0.62) PTPN7CACNA1BAPBA1TDP1HSPD1
SCHEMBL9613384 0.74 IKBKB (1.00) PTPN7CACNA1BAPBA1TDP1HSPD1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140050728-A1 METHODS AND COMPOSITIONS FOR INHIBITING CYCLOPHILIN D FOR THE TREATMENT AND PREVENTION OF OBESITY AND KIDNEY INDICATIONS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2014-02-20 US claimed
WO-2012103520-A1 METHODS AND COMPOSITIONS FOR MODULATING CYCLOPHILIN D BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2012-08-02 WO claimed
WO-2016172545-A1 CASTRATION-RESISTANT PROSTATE CANCER NUTECH VENTURES (US) 2016-10-27 WO disclosed
US-20160310528-A1 Castration-Resistant Prostate Cancer NUTECH VENTURES 2016-10-27 US disclosed
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-20140050728-A1 METHODS AND COMPOSITIONS FOR INHIBITING CYCLOPHILIN D FOR THE TREATMENT AND PREVENTION OF OBESITY AND KIDNEY INDICATIONS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2014-02-20 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-2012103520-A1 METHODS AND COMPOSITIONS FOR MODULATING CYCLOPHILIN D BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2012-08-02 WO 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 (4 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-20160310528-A1 Castration-Resistant Prostate Cancer UGDH, G6PD, DPYD PTPN7 3135/4885CACNA1B 4539/4885APBA1 4546/4885
US-20150274709-A1 QUINOXALINE COMPOUNDS AND USES THEREOF NFKBIA, RELA, MTOR PTPN7 1891/4885CACNA1B 3637/4885APBA1 1981/4885
US-20140050728-A1 METHODS AND COMPOSITIONS FOR INHIBITING CYCLOPHILIN D FOR THE TREATMENT AND PREVENTION OF OBESITY AND KIDNEY INDICATIONS PPIG, FKBP1B, PPIH PTPN7 1555/4885CACNA1B 4391/4885APBA1 2800/4885
US-20130289041-A1 QUINOXALINE COMPOUNDS AND USES THEREOF NFKBIA, RELA, MTOR PTPN7 1891/4885CACNA1B 3637/4885APBA1 1981/4885

“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.