SCHEMBL24914846

SCHEMBL24914846

O=c1[nH]c2ccnn2c2c1CNCC2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.37
HTR2C P28335 5/20 0.34
HTR2B P41595 5/20 0.34
HTR2A P28223 4/20 0.34
AURKA O14965 1/20 0.33
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
MEN1 O00255 1/20 0.33
GABRA1 P14867 1/20 0.33
CYP2C19 P33261 1/20 0.33
GABRB2 P47870 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL24914473 0.73 TP53 (0.36) PARP1AURKATNKSTNKS2KMT2A
SCHEMBL24914435 0.72 PARP1 (0.41) PARP1TNKSTNKS2
SCHEMBL24915161 0.71 PARP1 (0.34) PARP1TNKSTNKS2
SCHEMBL28984513 0.68 PARP1 (0.34) PARP1AURKATNKSTNKS2
SCHEMBL22845436 0.63 HTR2C (0.36) HTR2CHTR2BHTR2A
SCHEMBL14013817 0.63 POLB (0.36) PARP1TNKS2KMT2A
SCHEMBL3219983 0.63 HTR2C (0.35) HTR2CHTR2BHTR2A
SCHEMBL17645602 0.61 HTR6 (0.43) HTR2CHTR2BHTR2A
SCHEMBL23702701 0.60 KDM4E (0.35) PARP1KMT2A
SCHEMBL527381 0.60 PARP1 (0.56) 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 334/4885HTR2C 1159/4885HTR2B 895/4885

“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.