SCHEMBL22326800

SCHEMBL22326800

CCC(NC)n1cc(C(N)=O)cn1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.46
NNMT P40261 1/20 0.34
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
MAPKAPK2 P49137 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
TLR8 Q9NR97 1/20 0.31

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
SCHEMBL6238381 0.81 ACHE (0.67) ACHEMKNK1MKNK2L3MBTL1LMNA
SCHEMBL22399206 0.80 ACHE (0.68) ACHEMKNK1MKNK2L3MBTL1LMNA
SCHEMBL659349 0.75 ACHE (0.64) ACHEMKNK1MKNK2LMNAADORA2A
SCHEMBL29399366 0.75 ACHE (0.54) ACHEMKNK1MKNK2L3MBTL1LMNA
SCHEMBL25819849 0.74 ACHE (0.49) ACHEMKNK1MKNK2LMNAMAPKAPK2
SCHEMBL28309802 0.74 ACHE (0.49) ACHEMKNK1MKNK2LMNAMAPKAPK2
SCHEMBL30338024 0.74 ACHE (0.54) ACHEMKNK1MKNK2L3MBTL1TLR8
SCHEMBL30961721 0.73 ACHE (0.51) ACHEMKNK1MKNK2LMNA
SCHEMBL12862846 0.72 ACHE (0.47) ACHEMKNK1MKNK2LMNAMAPKAPK2
SCHEMBL566139 0.72 ACHE (0.50) ACHEMKNK1MKNK2LMNA

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-10738074-B2 Cyclic di-nucleotide compounds as STING agonists MERCK SHARP & DOHME CORP. (US) 2020-08-11 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-10738074-B2 Cyclic di-nucleotide compounds as STING agonists STING1, CGAS, IFNAR1 ACHE 4444/4885NNMT 4490/4885MKNK1 3946/4885

“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.