SCHEMBL30834201

SCHEMBL30834201

Nc1nc(N2CCO[C@H](c3ccccc3Br)C2)c2cc[nH]c2n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.50
NUDT1 P36639 1/20 0.44
PIK3CA P42336 3/20 0.42
PIK3R1 P27986 1/20 0.42
JAK3 P52333 5/20 0.38
MTOR P42345 2/20 0.37
TTK P33981 1/20 0.36
PDE10A Q9Y233 1/20 0.36
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
PAK4 O96013 2/20 0.35
DOT1L Q8TEK3 1/20 0.35

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
SCHEMBL30834120 0.84 PIK3CA (0.41) HRH4NUDT1PIK3CAMTORPDE10A
SCHEMBL30834096 0.80 HRH4 (0.57) HRH4PIK3CAPIK3R1JAK3PDE10A
SCHEMBL30834084 0.80 HRH4 (0.57) HRH4PIK3CAPIK3R1JAK3PDE10A
SCHEMBL30834101 0.80 CYP1A2 (0.36) HRH4NUDT1PIK3CAPDE10AADORA2A
SCHEMBL4738959 0.77 HRH4 (0.55) HRH4PIK3CAPIK3R1JAK3ADORA2A
SCHEMBL30834128 0.75 HRH4 (0.40) HRH4PIK3CAPDE10AADORA2AADORA1
SCHEMBL27201332 0.73 PIK3CA (0.38) PIK3CAPIK3R1MTOR
SCHEMBL4735212 0.71 HRH4 (0.48) HRH4PIK3CAPIK3R1JAK3MTOR
SCHEMBL4735201 0.71 HRH4 (0.48) HRH4PIK3CAPIK3R1JAK3MTOR
SCHEMBL30834094 0.71 NUDT1 (0.51) HRH4NUDT1PDE10A

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 4074/4885NUDT1 3459/4885PIK3CA 990/4885

“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.