SCHEMBL30006046

SCHEMBL30006046

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

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ APOBEC3A P31941 1/20 0.31
▸ APOBEC3G Q9HC16 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MC4R P32245 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ TSHR P16473 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL23658904 1.00 APOBEC3A (0.31) APOBEC3AAPOBEC3GMAPTMC4RTDP1
SCHEMBL23658660 1.00 APOBEC3A (0.31) APOBEC3AAPOBEC3GMAPTMC4RTDP1
SCHEMBL30006267 0.82 TOP2A (0.30) —
SCHEMBL21624317 0.82 CES1 (0.33) ALDH1A1
SCHEMBL21636837 0.82 CES1 (0.33) ALDH1A1
SCHEMBL21636891 0.82 TOP2A (0.30) —
SCHEMBL21624318 0.82 CES1 (0.33) ALDH1A1
SCHEMBL30668460 0.82 CES1 (0.33) ALDH1A1
SCHEMBL23658905 0.77 — —
SCHEMBL23658659 0.77 — —

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 3 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
EP-4090660-A1 QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2022-11-23 — — 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 (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 APOBEC3A 4861/4885APOBEC3G 4866/4885MAPT 4774/4885

“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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