SCHEMBL21624364

SCHEMBL21624364

COc1ccc(F)c2c1-n1c(C3CC3)nnc1C(C)(C)N2

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A P37288 2/20 0.36
▸ APLNR P35414 8/20 0.31
▸ LRRK2 Q5S007 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ TDP1 Q9NUW8 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
SCHEMBL30892195 1.00 AVPR1A (0.36) AVPR1AAPLNRLRRK2ALDH1A1MAPT
SCHEMBL21624320 0.85 AVPR1A (0.38) AVPR1A
SCHEMBL30006129 0.82 HSD11B1 (0.32) AVPR1AALDH1A1
SCHEMBL21624376 0.82 HSD11B1 (0.32) AVPR1AALDH1A1
SCHEMBL30668454 0.79 AVPR1A (0.33) AVPR1AAPLNR
SCHEMBL21624385 0.79 AVPR1A (0.33) AVPR1AAPLNR
SCHEMBL21624301 0.75 AVPR1A (0.34) AVPR1A
SCHEMBL30668459 0.75 AVPR1A (0.34) AVPR1A
SCHEMBL21624322 0.73 CYP11B1 (0.31) AVPR1A
SCHEMBL23648101 0.72 HSD11B1 (0.32) AVPR1AALDH1A1

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 10 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-3823970-B1 FURTHER SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2024-01-03 — — EP disclosed
US-20210163491-A1 FURTHER SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2021-06-03 — — US 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
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 (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-20210163491-A1 FURTHER SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES NR3C1, GRK5, NR3C2 AVPR1A 341/4885APLNR 2140/4885LRRK2 2637/4885
US-20240327416-A1 Further Substituted Triazolo Quinoxaline Derivatives NR3C1, GRK5, NR3C2 AVPR1A 341/4885APLNR 2140/4885LRRK2 2637/4885
US-11981677-B2 Further substituted triazolo quinoxaline derivatives NR3C1, GRK5, NR3C2 AVPR1A 341/4885APLNR 2140/4885LRRK2 2637/4885
US-10981918-B2 Further substituted triazolo quinoxaline derivatives NR3C1, GRK5, NR3C2 AVPR1A 341/4885APLNR 2140/4885LRRK2 2637/4885

“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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