SCHEMBL30023596

SCHEMBL30023596

CC(C)CN[C@@H]1CCc2[nH]c(=O)c3ccccc3c21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNKS O95271 3/20 0.40
TNKS2 Q9H2K2 3/20 0.40
PARP1 P09874 5/20 0.39
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SLC2A1 P11166 1/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL29824451 1.00 TNKS (0.40) TNKSTNKS2PARP1NFKB1NFKB2
SCHEMBL23537227 1.00 TNKS (0.40) TNKSTNKS2PARP1NFKB1NFKB2
SCHEMBL30023263 0.92 PARP1 (0.43) TNKSTNKS2PARP1NFKB1NFKB2
SCHEMBL29824425 0.92 PARP1 (0.43) TNKSTNKS2PARP1NFKB1NFKB2
SCHEMBL23537293 0.92 PARP1 (0.43) TNKSTNKS2PARP1NFKB1NFKB2
SCHEMBL29824164 0.92 PARP1 (0.43) TNKSTNKS2PARP1NFKB1NFKB2
SCHEMBL23537368 0.82 PARP1 (0.44) TNKSTNKS2PARP1TP53HPGD
SCHEMBL29824222 0.82 PARP1 (0.44) TNKSTNKS2PARP1TP53HPGD
SCHEMBL30023524 0.82 PARP1 (0.44) TNKSTNKS2PARP1TP53HPGD
SCHEMBL23537371 0.81 TNKS (0.43) TNKSTNKS2PARP1NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230108906-A1 SUBSTITUTED BICYCLIC AND TRICYCLIC UREAS AND AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2023-04-06 US disclosed
EP-4076648-A1 SUBSTITUTED BICYCLIC AND TRICYCLIC UREAS AND AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2022-10-26 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-20230108906-A1 SUBSTITUTED BICYCLIC AND TRICYCLIC UREAS AND AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME DDC, CDA, HMBS TNKS 2559/4885TNKS2 3385/4885PARP1 2241/4885

“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.