SCHEMBL30834161

SCHEMBL30834161

CNc1cc(N2CCN(C)[C@H](c3ccccc3Br)C2)nc(NC)n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 4/20 0.35
HTR3A P46098 2/20 0.33
BRD4 O60885 1/20 0.33
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 1/20 0.33
HRH4 Q9H3N8 3/20 0.32
AURKA O14965 1/20 0.32
DRD1 P21728 1/20 0.31
DRD5 P21918 1/20 0.31
CYP2C9 P11712 1/20 0.31
EPHX2 P34913 1/20 0.31
CXCR4 P61073 1/20 0.31

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
SCHEMBL30834108 0.88 NUDT1 (0.49) NUDT1HRH4
SCHEMBL30834118 0.80 NUDT1 (0.39) NUDT1BRD4HRH4CYP2C9EPHX2
SCHEMBL30834082 0.80 GSK3B (0.48) NUDT1
SCHEMBL30885307 0.77 HRH4 (0.53) HRH4
SCHEMBL30885303 0.77 HRH4 (0.53) NUDT1HRH4
SCHEMBL27201431 0.77 HRH4 (0.53) HRH4
SCHEMBL27201555 0.77 HRH4 (0.53) NUDT1HRH4
SCHEMBL30834076 0.76 HRH4 (0.49) HTR3AHRH4
SCHEMBL30885208 0.75 HRH4 (0.56) HRH4
SCHEMBL30885331 0.73 HRH4 (0.49) HTR3AHRH4

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-20240132464-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS ACCUTAR BIOTECHNOLOGY INC. (US) 2024-04-25 US claimed
WO-2024073502-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS ACCUTAR BIOTECHNOLOGY INC. (US) 2024-04-04 WO claimed
US-20240132464-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS ACCUTAR BIOTECHNOLOGY INC. (US) 2024-04-25 US disclosed
WO-2024073502-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS ACCUTAR BIOTECHNOLOGY INC. (US) 2024-04-04 WO 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-20240132464-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS GID4, MDM2, XIAP NUDT1 3459/4885HTR3A 3180/4885BRD4 1574/4885

“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.