SCHEMBL21624372

SCHEMBL21624372

CC1(C)Nc2c(F)c(Br)cc(C3CC3)c2NC1=O

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.38
▸ PDK4 Q16654 1/20 0.38
▸ AKR1A1 P14550 1/20 0.30
▸ AKR1B1 P15121 1/20 0.30

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
SCHEMBL21624390 0.75 PDK2 (0.50) PDK2PDK4AKR1A1AKR1B1
SCHEMBL21624355 0.74 MOGAT2 (0.30) —
SCHEMBL21624043 0.74 PDK2 (0.39) PDK2PDK4AKR1A1AKR1B1
SCHEMBL31424583 0.72 TSHR (0.33) —
SCHEMBL21636836 0.68 MOGAT2 (0.34) PDK2PDK4
SCHEMBL30006081 0.65 MOGAT2 (0.40) AKR1B1
SCHEMBL21624351 0.65 MOGAT2 (0.40) AKR1B1
SCHEMBL31238603 0.64 PDK2 (0.54) PDK2PDK4AKR1A1AKR1B1
SCHEMBL21624389 0.63 MOGAT2 (0.36) —
SCHEMBL21624088 0.63 MOGAT2 (0.33) —

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 15 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
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
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 PDK2 290/4885PDK4 483/4885AKR1A1 173/4885
US-20220396578-A1 QUINOXALINE DERIVATIVES NR3C1, NR3C2, GRK5 PDK2 461/4885PDK4 737/4885AKR1A1 257/4885
US-20240327416-A1 Further Substituted Triazolo Quinoxaline Derivatives NR3C1, GRK5, NR3C2 PDK2 290/4885PDK4 483/4885AKR1A1 173/4885
US-11981677-B2 Further substituted triazolo quinoxaline derivatives NR3C1, GRK5, NR3C2 PDK2 290/4885PDK4 483/4885AKR1A1 173/4885
US-10981918-B2 Further substituted triazolo quinoxaline derivatives NR3C1, GRK5, NR3C2 PDK2 290/4885PDK4 483/4885AKR1A1 173/4885

“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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