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SCHEMBL9613328

SCHEMBL9613328

COc1ccc(NC(=O)Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN7 P35236 15/20 1.00
▸ KDM4D Q6B0I6 1/20 0.77
▸ IKBKB O14920 2/20 0.73
▸ HSPD1 P10809 2/20 0.73
▸ HSPE1 P61604 2/20 0.73
▸ MAPT P10636 6/20 0.69
▸ MEN1 O00255 6/20 0.69
▸ ALDH1A1 P00352 6/20 0.69
▸ POLB P06746 6/20 0.69
▸ BLM P54132 6/20 0.69
▸ KMT2A Q03164 6/20 0.69
▸ MCL1 Q07820 5/20 0.69
▸ L3MBTL1 Q9Y468 4/20 0.69
▸ KDM4E B2RXH2 4/20 0.69
▸ THRB P10828 4/20 0.69
▸ RECQL P46063 4/20 0.69
▸ TDP1 Q9NUW8 4/20 0.69
▸ APAF1 O14727 1/20 0.69
▸ PABPC1 P11940 1/20 0.69
▸ DUSP3 P51452 1/20 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
SCHEMBL9613305 0.88 PTPN7 (0.78) PTPN7KDM4DIKBKBHSPD1HSPE1
SCHEMBL9613324 0.87 PTPN7 (0.82) PTPN7KDM4DIKBKBHSPD1HSPE1
SCHEMBL6238251 0.87 PTPN7 (1.00) PTPN7KDM4DIKBKBHSPD1HSPE1
SCHEMBL9613329 0.85 PTPN7 (0.79) PTPN7KDM4DIKBKBHSPD1HSPE1
SCHEMBL9613383 0.85 PTPN7 (0.82) PTPN7KDM4DIKBKBHSPD1HSPE1
SCHEMBL9613375 0.85 PTPN7 (1.00) PTPN7KDM4DIKBKBHSPD1HSPE1
SCHEMBL9613384 0.85 IKBKB (1.00) PTPN7KDM4DIKBKBHSPD1HSPE1
SCHEMBL9613362 0.84 PTPN7 (0.88) PTPN7KDM4DIKBKBHSPD1HSPE1
SCHEMBL9613359 0.82 PTPN7 (0.77) PTPN7KDM4DIKBKBHSPD1HSPE1
SCHEMBL14680156 0.81 ALDH1A1 (0.69) PTPN7KDM4DIKBKBHSPD1HSPE1

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 1891/4885KDM4D 3685/4885IKBKB 11/4885
US-20130289041-A1 QUINOXALINE COMPOUNDS AND USES THEREOF NFKBIA, RELA, MTOR PTPN7 1891/4885KDM4D 3685/4885IKBKB 11/4885

“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.