SCHEMBL23619303

SCHEMBL23619303

CC(C)n1cnc2c1N=CNC2NCCO

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 4/20 0.33
▸ CDK2 P24941 4/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CSNK1D P48730 1/20 0.31
▸ CLK2 P49760 1/20 0.31
▸ CDK5 Q00535 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ HIPK4 Q8NE63 1/20 0.31
▸ SRPK1 Q96SB4 1/20 0.31
▸ CLK4 Q9HAZ1 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
SCHEMBL19660823 0.76 MEN1 (0.30) —
SCHEMBL21347418 0.74 MEN1 (0.31) —
SCHEMBL21137434 0.73 ADORA2A (0.32) CDK1CDK2CCNB1CCNE1
SCHEMBL22434688 0.71 — —
SCHEMBL18416502 0.67 — —
SCHEMBL21924557 0.57 MEN1 (0.32) —
SCHEMBL23476158 0.56 ADORA2A (0.33) CDK1CDK2CCNB1CCNE1
SCHEMBL24499630 0.55 ADORA2A (0.35) CDK1CDK2CCNB1CCNE1
SCHEMBL18510350 0.55 CDK1 (0.71) CDK1CDK2CCNB1CCNE1CSNK1D
SCHEMBL22326732 0.55 ADORA2A (0.34) CDK1CDK2CCNB1CCNE1

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-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2021-07-08 — — 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-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 CDK1 1534/4885CDK2 3858/4885CCNB1 2787/4885

“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.

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