SCHEMBL18935874

SCHEMBL18935874

COc1cc(Br)c(Cl)c(Br)c1N

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.39
HTR2A P28223 4/20 0.38
TAAR1 Q96RJ0 3/20 0.38
EP300 Q09472 1/20 0.38
AKR1B1 P15121 1/20 0.38
HTR2C P28335 1/20 0.38
PRKDC P78527 1/20 0.37
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
ERN1 O75460 1/20 0.36
NQO2 P16083 2/20 0.35

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
SCHEMBL31503724 0.78 MAPT (0.53) MAPTNPSR1POLBL3MBTL1GAA
SCHEMBL1571488 0.77 ERN1 (0.53) MAPTNPSR1POLBL3MBTL1GAA
SCHEMBL1570990 0.77 MAPT (0.49) MAPTNPSR1POLBL3MBTL1GAA
SCHEMBL1571038 0.75 LCK (0.49) MAPTNPSR1POLBL3MBTL1GAA
SCHEMBL2826069 0.74 MAPT (0.55) MAPTNPSR1POLBL3MBTL1GAA
SCHEMBL5239537 0.74 MAPT (0.50) MAPTNPSR1POLBL3MBTL1GAA
SCHEMBL20328546 0.74 KDM4E (0.54) MAPTNPSR1POLBGAALCK
SCHEMBL30254383 0.73 MAPT (0.53) MAPTNPSR1POLBL3MBTL1GAA
SCHEMBL5660899 0.73 POLB (0.47) MAPTNPSR1POLBL3MBTL1GAA
SCHEMBL16047636 0.73 MAPT (0.53) MAPTNPSR1POLBL3MBTL1GAA

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 14 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
CN-112771046-B Other substituted triazoloquinoxaline derivatives 格吕伦塔尔有限公司 2023-09-19 CN 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
US-20170298081-A1 CONDENSED HETEROCYCLIC COMPOUND KASUMA PARTNERS INC. (JP) 2017-10-19 US disclosed
US-20170298081-A1 CONDENSED HETEROCYCLIC COMPOUND KASUMA PARTNERS INC. (JP) 2017-10-19 US disclosed
US-20170298081-A1 CONDENSED HETEROCYCLIC COMPOUND KASUMA PARTNERS INC. (JP) 2017-10-19 US disclosed
EP-3178810-A1 CONDENSED HETEROCYCLIC COMPOUND Kasuma Partners Inc. (JP) 2017-06-14 EP 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 MAPT 4633/4885NPSR1 234/4885POLB 2965/4885
US-20240327416-A1 Further Substituted Triazolo Quinoxaline Derivatives NR3C1, GRK5, NR3C2 MAPT 4633/4885NPSR1 234/4885POLB 2965/4885
US-11981677-B2 Further substituted triazolo quinoxaline derivatives NR3C1, GRK5, NR3C2 MAPT 4633/4885NPSR1 234/4885POLB 2965/4885
US-10981918-B2 Further substituted triazolo quinoxaline derivatives NR3C1, GRK5, NR3C2 MAPT 4633/4885NPSR1 234/4885POLB 2965/4885
US-20170298081-A1 CONDENSED HETEROCYCLIC COMPOUND APOB, NPC1, NPC1L1 MAPT 3961/4885NPSR1 523/4885POLB 2927/4885

“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.