SCHEMBL24914461

SCHEMBL24914461

CC(C)(C)OC(=O)N1CCc2c(c(=O)[nH]c3cscc23)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.43
MTHFD2 P13995 1/20 0.42
ESR2 Q92731 1/20 0.41
NR1H2 P55055 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
F12 P00748 3/20 0.40
PARP1 P09874 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
DDB1 Q16531 2/20 0.38
CRBN Q96SW2 2/20 0.38
MAPK1 P28482 1/20 0.38
P2RX3 P56373 2/20 0.37
TRPV1 Q8NER1 1/20 0.36
SPR P35270 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL24914458 0.84 MTHFD2 (0.60) MTHFD2MAPTF12PARP1TNKS2
SCHEMBL24914511 0.83 MTHFD2 (0.41) ADORA1MTHFD2ESR2NR1H2KDM4E
SCHEMBL24914515 0.82 NR1H2 (0.44) ADORA1MTHFD2ESR2NR1H2KDM4E
SCHEMBL32660187 0.80 ESR2 (0.46) MTHFD2ESR2NR1H2F12PARP1
SCHEMBL31164770 0.80 ESR2 (0.46) MTHFD2ESR2NR1H2F12PARP1
SCHEMBL24914674 0.80 MAPT (0.45) ADORA1MTHFD2ESR2NR1H2KDM4E
SCHEMBL24914388 0.76 DDB1 (0.52) MTHFD2MAPTF12PARP1TNKS2
SCHEMBL24914501 0.76 KIT (0.42) ADORA1ESR2NR1H2KDM4EMAPT
SCHEMBL23580395 0.75 ESR2 (0.42) ADORA1ESR2NR1H2F12PARP1
SCHEMBL24914504 0.74 MKNK1 (0.42) ADORA1ESR2NR1H2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327408-A1 COMPOUNDS CONTAINING TETRAHYDRONAPHTHYRIDINONE OR TETRAHYDROPYRIDOPYRIMIDINONE SKELETON, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF CHINA PHARMACEUTICAL UNIVERSITY (CN) 2024-10-03 US disclosed
WO-2023284807-A1 COMPOUND CONTAINING TETRAHYDRONAPHTHYRIDONE OR TETRAHYDROPYRIDOPYRIMIDINONE SKELETON, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 中国药科大学 2023-01-19 WO disclosed
WO-2023284807-A1 COMPOUND CONTAINING TETRAHYDRONAPHTHYRIDONE OR TETRAHYDROPYRIDOPYRIMIDINONE SKELETON, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 中国药科大学 2023-01-19 WO disclosed
CN-115611896-A Compound containing tetralone or tetrahydropyridopyrimidone skeleton and preparation method and pharmaceutical application thereof 中国药科大学 2023-01-17 CN 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-20240327408-A1 COMPOUNDS CONTAINING TETRAHYDRONAPHTHYRIDINONE OR TETRAHYDROPYRIDOPYRIMIDINONE SKELETON, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF PRCP, TMPRSS15, WEE1 ADORA1 1953/4885MTHFD2 1824/4885ESR2 2623/4885

“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.