SCHEMBL21624101

SCHEMBL21624101

CC(=O)N/N=C1\Nc2c(C)cccc2NC1(C)C

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ CREBBP Q92793 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MC4R P32245 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL21624102 1.00 ALDH1A1 (0.31) ALDH1A1HPGDCREBBPMAPTMC4R
SCHEMBL30006785 1.00 ALDH1A1 (0.31) ALDH1A1HPGDCREBBPMAPTMC4R
SCHEMBL30005856 0.82 ALOX5 (0.44) ALDH1A1MAPTKDM4EHSD17B10
SCHEMBL21636304 0.82 ALDH1A1 (0.42) ALDH1A1
SCHEMBL21624126 0.82 ALOX5 (0.44) ALDH1A1MAPTKDM4EHSD17B10
SCHEMBL29821340 0.82 ALDH1A1 (0.42) ALDH1A1
SCHEMBL21624125 0.82 ALOX5 (0.44) ALDH1A1MAPTKDM4EHSD17B10
SCHEMBL21624192 0.79 — —
SCHEMBL21624190 0.79 — —
SCHEMBL21636837 0.77 CES1 (0.33) ALDH1A1

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 13 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
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 ALDH1A1 1871/4885HPGD 233/4885CREBBP 1104/4885
US-20220396578-A1 QUINOXALINE DERIVATIVES NR3C1, NR3C2, GRK5 ALDH1A1 1617/4885HPGD 106/4885CREBBP 1073/4885
US-12110293-B2 Substituted triazolo quinoxaline derivatives NR3C1, NR3C2, GRK5 ALDH1A1 1871/4885HPGD 233/4885CREBBP 1104/4885

“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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