SCHEMBL23648071

SCHEMBL23648071

COc1ccc(C)c2c1NC(C)(C)C(=O)N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MOGAT2 Q3SYC2 3/20 0.37
▸ FLI1 Q01543 1/20 0.35
▸ EWSR1 Q01844 1/20 0.35
▸ CYP19A1 P11511 3/20 0.35
▸ NQO2 P16083 3/20 0.35
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ GLA P06280 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ RET P07949 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ PDE7A Q13946 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
SCHEMBL30005126 1.00 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10MOGAT2
SCHEMBL23648075 0.82 ALDH1A1 (0.39) KDM4EALDH1A1HPGDHSD17B10MOGAT2
SCHEMBL30006272 0.80 ALDH1A1 (0.31) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL23647746 0.80 ALDH1A1 (0.31) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL21624340 0.79 ALDH1A1 (0.39) KDM4EALDH1A1HPGDHSD17B10MOGAT2
SCHEMBL21624396 0.79 PDE7A (0.45) KDM4EALDH1A1HPGDHSD17B10MOGAT2
SCHEMBL30006137 0.79 ALDH1A1 (0.39) KDM4EALDH1A1HPGDHSD17B10MOGAT2
SCHEMBL30668474 0.79 PDE7A (0.45) KDM4EALDH1A1HPGDHSD17B10MOGAT2
SCHEMBL23658905 0.76 — —
SCHEMBL23647801 0.76 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20220396578-A1 QUINOXALINE DERIVATIVES NR3C1, NR3C2, GRK5 KDM4E 3668/4885ALDH1A1 1617/4885HPGD 106/4885

“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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