SCHEMBL21636616

SCHEMBL21636616

Fc1cc(Br)c2ccn(CC(F)(F)F)c2c1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ASH1L Q9NR48 1/20 0.38
RHEB Q15382 1/20 0.32
GRM2 Q14416 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
SCHEMBL30858411 0.83 CYP19A1 (0.33) RHEBGRM2
SCHEMBL30559962 0.79 HTR2C (0.39) RHEBGRM2
SCHEMBL21624107 0.79 HTR2C (0.39) RHEBGRM2
SCHEMBL29968247 0.77 ASH1L (0.37) ASH1LRHEBGRM2
SCHEMBL21624026 0.77 ASH1L (0.37) ASH1LRHEBGRM2
SCHEMBL30595498 0.77 ASH1L (0.39) ASH1L
SCHEMBL14910731 0.74 GRIN2B (0.40) RHEB
SCHEMBL30559975 0.74 GRIN2B (0.40) RHEB
SCHEMBL31364109 0.73 ASH1L (0.39) ASH1L
SCHEMBL21624085 0.71 LPL (0.33) ASH1L

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-3823971-B1 SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2022-07-27 EP 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
US-20210139488-A1 SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES Grünethal GmbH (DE) 2021-05-13 US 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
CN-112673009-A Substituted triazoloquinoxaline derivatives 格吕伦塔尔有限公司 2021-04-16 CN disclosed
WO-2020016453-A1 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 (7 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-20210139488-A1 SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES NR3C1, NR3C2, GRK5 ASH1L 4786/4885RHEB 1154/4885GRM2 59/4885
US-20210163491-A1 FURTHER SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES NR3C1, GRK5, NR3C2 ASH1L 4812/4885RHEB 1145/4885GRM2 46/4885
US-20220396578-A1 QUINOXALINE DERIVATIVES NR3C1, NR3C2, GRK5 ASH1L 4811/4885RHEB 1116/4885GRM2 43/4885
US-20240327416-A1 Further Substituted Triazolo Quinoxaline Derivatives NR3C1, GRK5, NR3C2 ASH1L 4812/4885RHEB 1145/4885GRM2 46/4885
US-11981677-B2 Further substituted triazolo quinoxaline derivatives NR3C1, GRK5, NR3C2 ASH1L 4812/4885RHEB 1145/4885GRM2 46/4885
US-10981918-B2 Further substituted triazolo quinoxaline derivatives NR3C1, GRK5, NR3C2 ASH1L 4812/4885RHEB 1145/4885GRM2 46/4885
US-12110293-B2 Substituted triazolo quinoxaline derivatives NR3C1, NR3C2, GRK5 ASH1L 4786/4885RHEB 1154/4885GRM2 59/4885

“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.