SCHEMBL17394039

SCHEMBL17394039

CS(=O)(=O)n1ccc2c(Br)cccc21

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 16/20 0.63
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ PPARG P37231 1/20 0.41
▸ PPARD Q03181 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ FABP4 P15090 1/20 0.38
▸ HTR1A P08908 2/20 0.37
▸ DRD2 P14416 2/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR1D P28221 1/20 0.37
▸ HTR1B P28222 1/20 0.37
▸ HTR1F P30939 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ DRD3 P35462 1/20 0.37

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
SCHEMBL30559967 1.00 HTR6 (0.63) HTR6CYP3A4CYP2D6PPARGPPARD
SCHEMBL27038476 0.79 HTR6 (0.64) HTR6FABP4
SCHEMBL30644286 0.78 HTR6 (0.68) HTR6CYP3A4CYP2D6HTR1ADRD2
SCHEMBL260867 0.78 HTR6 (0.68) HTR6CYP3A4CYP2D6HTR1ADRD2
SCHEMBL30096985 0.78 HTR6 (0.56) HTR6PPARGPPARDPPARAHTR1A
SCHEMBL505125 0.78 HTR6 (0.56) HTR6PPARGPPARDPPARAHTR1A
SCHEMBL3625322 0.77 FABP4 (0.59) HTR6CYP3A4CYP2D6PPARGPPARD
SCHEMBL8499521 0.76 HTR6 (0.53) HTR6
SCHEMBL16923720 0.76 PIK3C3 (0.46) HTR6
SCHEMBL19278211 0.75 HTR6 (0.43) HTR6

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4090661-B1 QUINOXALINE DERIVATIVES AS MODULATORS OF THE GLUCOCORTICOID RECEPTOR GRUENENTHAL GMBH (DE) 2025-03-12 — — EP disclosed
US-12110293-B2 Substituted triazolo quinoxaline derivatives Grünenthal GmbH (DE) 2024-10-08 — — US disclosed
US-20240327416-A1 Further Substituted Triazolo Quinoxaline Derivatives GRUENENTHAL GMBH (DE) 2024-10-03 — — US disclosed
US-11981677-B2 Further substituted triazolo quinoxaline derivatives Grünenthal GmbH (DE) 2024-05-14 — — US disclosed
EP-4090660-B1 QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2024-01-31 — — EP disclosed
EP-3823970-B1 FURTHER SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2024-01-03 — — EP disclosed
CN-112771046-B Other substituted triazoloquinoxaline derivatives 格吕伦塔尔有限公司 2023-09-19 — — CN disclosed
CN-112673009-B Substituted triazoloquinoxaline derivatives 格吕伦塔尔有限公司 2023-09-19 — — CN disclosed
US-20220396578-A1 QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2022-12-15 — — US disclosed
US-20220372041-A1 QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2022-11-24 — — US disclosed
WO-2020016452-A1 FURTHER SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2020-01-23 — — WO disclosed
WO-2020016453-A1 SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2020-01-23 — — WO disclosed
EP-2964635-B1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-05-02 — — EP disclosed
US-9693997-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-07-04 — — US disclosed
US-9693997-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-07-04 — — US disclosed
US-9693997-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-07-04 — — US disclosed
CN-105102449-B Antiviral compound 豪夫迈·罗氏有限公司 2017-06-13 — — CN disclosed
US-20160000760-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2016-01-07 — — US disclosed
US-20160000760-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2016-01-07 — — US disclosed
US-20160000760-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2016-01-07 — — US 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 (6 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-20220396578-A1 QUINOXALINE DERIVATIVES NR3C1, NR3C2, GRK5 HTR6 641/4885CYP3A4 254/4885CYP2D6 86/4885
US-20240327416-A1 Further Substituted Triazolo Quinoxaline Derivatives NR3C1, GRK5, NR3C2 HTR6 551/4885CYP3A4 293/4885CYP2D6 174/4885
US-11981677-B2 Further substituted triazolo quinoxaline derivatives NR3C1, GRK5, NR3C2 HTR6 551/4885CYP3A4 293/4885CYP2D6 174/4885
US-20160000760-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS HTR6 3229/4885CYP3A4 241/4885CYP2D6 433/4885
US-20220372041-A1 QUINOXALINE DERIVATIVES NR3C1, NR3C2, GRK5 HTR6 641/4885CYP3A4 254/4885CYP2D6 86/4885
US-12110293-B2 Substituted triazolo quinoxaline derivatives NR3C1, NR3C2, GRK5 HTR6 587/4885CYP3A4 301/4885CYP2D6 162/4885

“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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