SCHEMBL27201438

SCHEMBL27201438

Nc1nc(N2CCCC(c3ccn[nH]3)C2)c2[nH]cnc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.51
HRH4 Q9H3N8 1/20 0.50
LRRK2 Q5S007 1/20 0.45
ADORA3 P0DMS8 6/20 0.39
ADORA1 P30542 4/20 0.39
ADORA2A P29274 3/20 0.39
ADORA2B P29275 3/20 0.39
BTK Q06187 1/20 0.39
PDGFRB P09619 1/20 0.38
CDK1 P06493 3/20 0.38
CCNB1 P14635 3/20 0.38
CCNA2 P20248 3/20 0.38
CDK2 P24941 3/20 0.38
CCNA1 P78396 3/20 0.38
PIN1 Q13526 2/20 0.38
CCNB2 O95067 1/20 0.38
MAPK3 P27361 1/20 0.38
CLK1 P49759 1/20 0.38
CDK5 Q00535 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38

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
SCHEMBL30834277 1.00 MAP4K4 (0.51) MAP4K4HRH4LRRK2ADORA3ADORA1
SCHEMBL27201417 0.82 MAP4K4 (0.52) MAP4K4HRH4LRRK2BTKPIK3CA
SCHEMBL30885255 0.79 MAP4K4 (0.53) MAP4K4HRH4LRRK2ADORA1ADORA2A
SCHEMBL27201579 0.79 MAP4K4 (0.53) MAP4K4HRH4LRRK2ADORA1ADORA2A
SCHEMBL27201481 0.77 HRH4 (0.53) MAP4K4HRH4LRRK2BTK
SCHEMBL30885318 0.77 HRH4 (0.53) MAP4K4HRH4LRRK2BTK
SCHEMBL27201635 0.77 MAP4K4 (0.51) MAP4K4HRH4LRRK2ADORA1ADORA2A
SCHEMBL30885232 0.77 MAP4K4 (0.51) MAP4K4HRH4LRRK2ADORA1ADORA2A
SCHEMBL27201474 0.76 HRH4 (0.51) MAP4K4HRH4LRRK2BTK
SCHEMBL27201410 0.76 MAP4K4 (0.53) MAP4K4HRH4LRRK2CDK2

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-20240132464-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS ACCUTAR BIOTECHNOLOGY INC. (US) 2024-04-25 US claimed
US-20240132464-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS ACCUTAR BIOTECHNOLOGY INC. (US) 2024-04-25 US 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 MAP4K4 1878/4885HRH4 4074/4885LRRK2 209/4885

“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.