SCHEMBL21624125

SCHEMBL21624125

COC(=O)c1cccc2c1N/C(=N\NC(C)=O)C(C)(C)N2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.44
▸ LMNA P02545 3/20 0.37
▸ TSHR P16473 2/20 0.37
▸ ALDH1A1 P00352 4/20 0.33
▸ CFTR P13569 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ SLK Q9H2G2 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ KDM4E B2RXH2 4/20 0.33
▸ MAPT P10636 3/20 0.33
▸ MEN1 O00255 2/20 0.33

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
SCHEMBL30005856 1.00 ALOX5 (0.44) ALOX5LMNATSHRALDH1A1CFTR
SCHEMBL21624126 1.00 ALOX5 (0.44) ALOX5LMNATSHRALDH1A1CFTR
SCHEMBL21636315 0.84 ALOX5 (0.47) ALOX5LMNATSHRALDH1A1CFTR
SCHEMBL21624102 0.82 ALDH1A1 (0.31) ALDH1A1HSD17B10KDM4EMAPT
SCHEMBL30006785 0.82 ALDH1A1 (0.31) ALDH1A1HSD17B10KDM4EMAPT
SCHEMBL21624101 0.82 ALDH1A1 (0.31) ALDH1A1HSD17B10KDM4EMAPT
SCHEMBL29821340 0.78 ALDH1A1 (0.42) ALDH1A1MEN1KMT2A
SCHEMBL21636304 0.78 ALDH1A1 (0.42) ALDH1A1MEN1KMT2A
SCHEMBL17817777 0.78 ALOX5 (0.51) ALOX5LMNATSHRALDH1A1CFTR
SCHEMBL30132988 0.78 ALOX5 (0.51) ALOX5LMNATSHRALDH1A1CFTR

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-12110293-B2 Substituted triazolo quinoxaline derivatives Grünenthal GmbH (DE) 2024-10-08 — — US disclosed
EP-4090660-B1 QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2024-01-31 — — EP disclosed
CN-112673009-B 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
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
WO-2021144439-A1 QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2021-07-22 — — WO disclosed
EP-3823971-A1 SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2021-05-26 — — EP disclosed
US-20210139488-A1 SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES Grünethal GmbH (DE) 2021-05-13 — — US disclosed
US-20210139488-A1 SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES Grünethal GmbH (DE) 2021-05-13 — — US disclosed
WO-2020016453-A1 SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2020-01-23 — — WO disclosed
WO-2020016453-A1 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 (3 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 ALOX5 461/4885LMNA 4290/4885TSHR 179/4885
US-20220396578-A1 QUINOXALINE DERIVATIVES NR3C1, NR3C2, GRK5 ALOX5 438/4885LMNA 3854/4885TSHR 500/4885
US-12110293-B2 Substituted triazolo quinoxaline derivatives NR3C1, NR3C2, GRK5 ALOX5 461/4885LMNA 4290/4885TSHR 179/4885

“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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