SCHEMBL21624340

SCHEMBL21624340

COc1ccc(F)c2c1NC(=O)C(C)(C)N2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MOGAT2 Q3SYC2 5/20 0.37
▸ FLI1 Q01543 1/20 0.35
▸ EWSR1 Q01844 1/20 0.35
▸ MAPK1 P28482 3/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ TDP2 O95551 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ GLA P06280 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ CDK2 P24941 1/20 0.31

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
SCHEMBL30006137 1.00 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDHSD17B10MOGAT2
SCHEMBL23648075 0.94 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDHSD17B10MOGAT2
SCHEMBL30668482 0.81 ALDH1A1 (0.31) ALDH1A1
SCHEMBL21624357 0.81 ALDH1A1 (0.31) ALDH1A1
SCHEMBL21624396 0.81 PDE7A (0.45) ALDH1A1KDM4EHPGDHSD17B10MOGAT2
SCHEMBL30668474 0.81 PDE7A (0.45) ALDH1A1KDM4EHPGDHSD17B10MOGAT2
SCHEMBL21624379 0.79 MOGAT2 (0.38) ALDH1A1KDM4EHPGDHSD17B10MOGAT2
SCHEMBL30668486 0.79 MOGAT2 (0.38) ALDH1A1KDM4EHPGDHSD17B10MOGAT2
SCHEMBL23648071 0.79 KDM4E (0.40) ALDH1A1KDM4EHPGDHSD17B10MOGAT2
SCHEMBL30005126 0.79 KDM4E (0.40) ALDH1A1KDM4EHPGDHSD17B10MOGAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20220396578-A1 QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2022-12-15 — — US disclosed
US-20220396578-A1 QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2022-12-15 — — US disclosed
EP-4090660-A1 QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2022-11-23 — — EP disclosed
WO-2021144439-A1 QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2021-07-22 — — WO disclosed
WO-2021144439-A1 QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2021-07-22 — — WO disclosed
US-20210163491-A1 FURTHER SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2021-06-03 — — US disclosed
EP-3823970-A1 FURTHER SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2021-05-26 — — EP disclosed
CN-112771046-A Other substituted triazoloquinoxaline derivatives 格吕伦塔尔有限公司 2021-05-07 — — CN disclosed
US-10981918-B2 Further substituted triazolo quinoxaline derivatives Grünenthal GmbH (DE) 2021-04-20 — — US disclosed
US-10981918-B2 Further substituted triazolo quinoxaline derivatives Grünenthal GmbH (DE) 2021-04-20 — — US disclosed
WO-2020016452-A1 FURTHER SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2020-01-23 — — WO disclosed
WO-2020016452-A1 FURTHER SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2020-01-23 — — 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 (5 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-20210163491-A1 FURTHER SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES NR3C1, GRK5, NR3C2 ALDH1A1 1654/4885KDM4E 4106/4885HPGD 199/4885
US-20220396578-A1 QUINOXALINE DERIVATIVES NR3C1, NR3C2, GRK5 ALDH1A1 1617/4885KDM4E 3668/4885HPGD 106/4885
US-20240327416-A1 Further Substituted Triazolo Quinoxaline Derivatives NR3C1, GRK5, NR3C2 ALDH1A1 1654/4885KDM4E 4106/4885HPGD 199/4885
US-11981677-B2 Further substituted triazolo quinoxaline derivatives NR3C1, GRK5, NR3C2 ALDH1A1 1654/4885KDM4E 4106/4885HPGD 199/4885
US-10981918-B2 Further substituted triazolo quinoxaline derivatives NR3C1, GRK5, NR3C2 ALDH1A1 1654/4885KDM4E 4106/4885HPGD 199/4885

“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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