SCHEMBL25879157

SCHEMBL25879157

Cc1nc(C#N)cc(Cl)c1C(=O)N1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.43
HSP90AA1 P07900 1/20 0.42
HRH4 Q9H3N8 4/20 0.42
SCN7A Q01118 2/20 0.41
KCNH2 Q12809 2/20 0.41
SCN9A Q15858 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
RORC P51449 2/20 0.39
KDM1A O60341 1/20 0.37
CCR5 P51681 1/20 0.37
PTGS2 P35354 1/20 0.37
LRRK2 Q5S007 1/20 0.36

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
SCHEMBL25291676 0.86 RORC (0.39) RORCCCR5
SCHEMBL30496260 0.80 GPR119 (0.51) KCNH2
SCHEMBL25283318 0.80 GPR119 (0.51) KCNH2
SCHEMBL25423554 0.80 CCR5 (0.43) RORCCCR5
SCHEMBL30478166 0.75 RXFP1 (0.43) PIM1HSP90AA1HRH4SCN7AKCNH2
SCHEMBL25297679 0.75 ALDH1A1 (0.42)
SCHEMBL30496194 0.69 EGLN1 (0.45) HSP90AA1SCN7AKCNH2SCN9ARXFP1
SCHEMBL4503101 0.69 HRH4 (0.46) HSP90AA1HRH4RXFP1PTGS2
SCHEMBL5417056 0.69 RXFP1 (0.54) HSP90AA1HRH4RXFP1
SCHEMBL30496247 0.69 GPR119 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219973-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF MOLECURE S.A. (PL) 2023-07-13 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-20230219973-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF USP7, USP28, USP1 PIM1 2270/4885HSP90AA1 2316/4885HRH4 4010/4885

“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.