SCHEMBL21473817

SCHEMBL21473817

COc1cc(C)c(CNC(=O)OC(C)(C)C)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.43
AAK1 Q2M2I8 1/20 0.40
KDM4A O75164 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
GFER P55789 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DYRK1A Q13627 2/20 0.38
TRPV1 Q8NER1 1/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
NAMPT P43490 1/20 0.37
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
BRD4 O60885 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1B Q00975 1/20 0.36

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
SCHEMBL3301163 0.85 KDM4A (0.41) AAK1KDM4AL3MBTL1STK17BSTK17A
SCHEMBL21327224 0.83 NNMT (0.50) NNMTLMNAKDM4EMAPTALDH1A1
SCHEMBL10268457 0.83 MTNR1A (0.39) KDM4AL3MBTL1GFERHSD17B10DYRK1A
SCHEMBL13881875 0.83 STK17B (0.46) KDM4AL3MBTL1STK17BSTK17AGFER
SCHEMBL30463073 0.80 TRPV1 (0.38) AAK1KDM4AL3MBTL1GFERHSD17B10
SCHEMBL21327092 0.80 TRPV1 (0.38) AAK1KDM4AL3MBTL1GFERHSD17B10
SCHEMBL21473788 0.80 TRPV1 (0.38) AAK1KDM4AL3MBTL1GFERHSD17B10
SCHEMBL7681674 0.77 NNMT (0.47) NNMTAAK1LMNAALDH1A1HPGD
SCHEMBL29713519 0.77 NNMT (0.47) NNMTAAK1LMNAALDH1A1HPGD
SCHEMBL15171404 0.76 NPC1 (0.52) KDM4AL3MBTL1TRPV1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116751200-A Tricyclic compounds containing substituted pyridones and methods of using the same 爱彼特生物制药公司 2023-09-15 CN disclosed
CN-110114071-B Tricyclic compounds containing substituted pyridones and methods of using the same 爱彼特生物制药公司 2023-07-04 CN disclosed
EP-3534903-B1 SUBSTITUTED PYRIDINONE-CONTAINING TRICYCLIC COMPOUNDS, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2022-08-03 EP disclosed
US-11013726-B2 Substituted pyridinone-containing trycyclic compounds, and methods using same ARBUTUS BIOPHARMA CORPORATION (CA) 2021-05-25 US disclosed
US-10821103-B2 Substituted pyridinone-containing trycyclic compounds, and methods using same ARBUTUS BIOPHARMA CORPORATION (CA) 2020-11-03 US disclosed
US-20200261432-A1 SUBSTITUTED PYRIDINONE-CONTAINING TRYCYCLIC COMPOUNDS, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2020-08-20 US disclosed
US-20190314347-A1 SUBSTITUTED PYRIDINONE-CONTAINING TRYCYCLIC COMPOUNDS, AND METHODS USING SAME ARBUTUS BIOPHARMA, INC. 2019-10-17 US 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 (4 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-20200261432-A1 SUBSTITUTED PYRIDINONE-CONTAINING TRYCYCLIC COMPOUNDS, AND METHODS USING SAME HAVCR2, HCCS, TYMP NNMT 252/4885AAK1 4461/4885KDM4A 158/4885
US-20190314347-A1 SUBSTITUTED PYRIDINONE-CONTAINING TRYCYCLIC COMPOUNDS, AND METHODS USING SAME HAVCR2, HCCS, TYMP NNMT 252/4885AAK1 4461/4885KDM4A 158/4885
US-11013726-B2 Substituted pyridinone-containing trycyclic compounds, and methods using same HAVCR2, HCCS, TYMP NNMT 252/4885AAK1 4461/4885KDM4A 158/4885
US-10821103-B2 Substituted pyridinone-containing trycyclic compounds, and methods using same HAVCR2, HCCS, TYMP NNMT 252/4885AAK1 4461/4885KDM4A 158/4885

“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.