SCHEMBL24914435

SCHEMBL24914435

O=c1[nH]c2cccn2c2c1CNCC2

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.41
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
MCHR1 Q99705 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
PNMT P11086 2/20 0.32

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
SCHEMBL24915161 0.75 PARP1 (0.34) PARP1TNKSTNKS2
SCHEMBL24914846 0.72 PARP1 (0.37) PARP1TNKSTNKS2
SCHEMBL24914473 0.63 TP53 (0.36) PARP1TNKSTNKS2
SCHEMBL17645631 0.61 HTR6 (0.40) PNMT
SCHEMBL2269424 0.60 KDM4E (0.63) PARP1TNKSTNKS2TAAR1
SCHEMBL16115380 0.60 KDM4E (0.44) PARP1MCHR1PNMT
SCHEMBL15533169 0.60 PARP1 (0.49) PARP1
SCHEMBL23203257 0.60 PARP1 (0.37) PARP1MCHR1TAAR1PNMT
SCHEMBL8359331 0.58 PARP1 (1.00) PARP1TNKSTNKS2TAAR1PNMT
SCHEMBL2149411 0.58 LTK (0.40) PARP1

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
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
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 PARP1 334/4885TNKS 380/4885TNKS2 687/4885

“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.