SCHEMBL23619288

SCHEMBL23619288

CCn1cnc2c(=O)n3cc[nH]c3nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 2/20 0.42
▸ CCNB1 P14635 2/20 0.42
▸ CCNE1 P24864 2/20 0.42
▸ CDK2 P24941 2/20 0.42
▸ ADORA2A P29274 4/20 0.37
▸ ADORA1 P30542 2/20 0.37
▸ PI4KA P42356 1/20 0.37
▸ PI4K2B Q8TCG2 1/20 0.37
▸ PI4K2A Q9BTU6 1/20 0.37
▸ PI4KB Q9UBF8 1/20 0.37
▸ SRC P12931 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PDE4A P27815 4/20 0.33
▸ PDE4B Q07343 4/20 0.33
▸ PDE4C Q08493 4/20 0.33
▸ PDE4D Q08499 4/20 0.33
▸ ADORA2B P29275 2/20 0.33
▸ PDE1A P54750 1/20 0.33
▸ PDE1B Q01064 1/20 0.33
▸ PDE1C Q14123 1/20 0.33

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
SCHEMBL21362231 0.81 CDK1 (0.36) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL16490344 0.80 HPRT1 (0.34) SMN1; SMN2
SCHEMBL23619277 0.78 ALDH1A1 (0.33) —
SCHEMBL21372042 0.78 PI4KA (0.37) PI4KAPI4K2BPI4K2API4KB
SCHEMBL21871805 0.78 CDK1 (0.42) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL24239251 0.78 — —
SCHEMBL24236856 0.76 LMNA (0.32) —
SCHEMBL24239248 0.76 — —
SCHEMBL23619312 0.76 CDK1 (0.35) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL3324585 0.75 FGFR1 (0.51) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11685761-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME LLC (US) 2023-06-27 — — US disclosed
US-20220033431-A1 Cyclic Di-Nucleotide Compounds as STING Agonists MERCK SHARP & DOHME CORP. (US) 2022-02-03 — — US disclosed
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 (3 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-20220033431-A1 Cyclic Di-Nucleotide Compounds as STING Agonists STING1, CGAS, IFNAR1 CDK1 1477/4885CCNB1 2831/4885CCNE1 2515/4885
US-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 CDK1 1534/4885CCNB1 2787/4885CCNE1 2444/4885
US-11685761-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 CDK1 1548/4885CCNB1 2850/4885CCNE1 2505/4885

“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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