SCHEMBL27201458

SCHEMBL27201458

CC(C)c1cc(N2CCNC(c3cc(N4CCNCC4)ccc3Br)C2)nc(N)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.47
HRH3 Q9Y5N1 8/20 0.47
CDK1 P06493 1/20 0.37
CDK2 P24941 1/20 0.37
GSK3B P49841 2/20 0.35
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR5A P47898 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
MAPT P10636 1/20 0.32
RECQL P46063 1/20 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
SCHEMBL30885247 1.00 HRH4 (0.47) HRH4HRH3CDK1CDK2GSK3B
SCHEMBL30834125 0.90 HRH4 (0.43) HRH4HRH3CDK1CDK2GSK3B
SCHEMBL30885328 0.88 HRH4 (0.50) HRH4HRH3CDK1CDK2GSK3B
SCHEMBL27201402 0.88 HRH4 (0.50) HRH4HRH3CDK1CDK2GSK3B
SCHEMBL27201404 0.87 HRH4 (0.48) HRH4HRH3GSK3B
SCHEMBL27201317 0.87 HRH4 (0.48) HRH4HRH3CDK1CDK2GSK3B
SCHEMBL30885287 0.87 HRH4 (0.48) HRH4HRH3GSK3B
SCHEMBL30885276 0.87 HRH4 (0.48) HRH4HRH3CDK1CDK2GSK3B
SCHEMBL30885236 0.85 HRH4 (0.51) HRH4HRH3GSK3B
SCHEMBL27201671 0.85 HRH4 (0.51) HRH4HRH3GSK3B

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 HRH4 4074/4885HRH3 4300/4885CDK1 502/4885

“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.