SCHEMBL29655962

SCHEMBL29655962

N#Cc1ccnc(N2CCC(NC(=O)Nc3cccnc3)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
CCNC P24863 1/20 0.54
CDK8 P49336 1/20 0.54
EPHX2 P34913 1/20 0.54
THRB P10828 1/20 0.54
USP30 Q70CQ3 1/20 0.50
MALT1 Q9UDY8 1/20 0.49
PANK3 Q9H999 1/20 0.46

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
SCHEMBL22686015 1.00 POLB (0.55) POLBCCNCCDK8EPHX2THRB
SCHEMBL22686719 0.85 POLB (0.58) POLBEPHX2
SCHEMBL22687453 0.82 EPHX2 (0.57) POLBCCNCCDK8EPHX2
SCHEMBL23666145 0.82 POLB (0.62) POLBEPHX2
SCHEMBL22687451 0.82 EPHX2 (0.54) POLBEPHX2
SCHEMBL5220987 0.80 USP30 (0.57) CCNCCDK8THRBUSP30MALT1
SCHEMBL29656088 0.79 POLB (0.56) POLBEPHX2
SCHEMBL22686119 0.79 POLB (0.56) POLBEPHX2
SCHEMBL22686737 0.79 USP30 (0.56) CCNCCDK8THRBUSP30MALT1
SCHEMBL22685999 0.78 DRD2 (0.63) POLBEPHX2

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-20220213074-A1 ABHD12 INHIBITORS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2022-07-07 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-20220213074-A1 ABHD12 INHIBITORS AND METHODS OF MAKING AND USING SAME ABHD12, SAMHD1, ABHD11 POLB 919/4885CCNC 4401/4885CDK8 2577/4885

“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.