SCHEMBL25812959

SCHEMBL25812959

CO[C@H]1[C@H](O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1COS

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.61
ADORA1 P30542 4/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
ADORA2A P29274 2/20 0.61
ADORA2B P29275 2/20 0.61
DPP4 P27487 1/20 0.61
MEN1 O00255 1/20 0.61
SLC28A1 O00337 1/20 0.61
MAP3K7 O43318 1/20 0.61
SLC28A2 O43868 1/20 0.61
GAPDH P04406 1/20 0.61
MAPK1 P28482 1/20 0.61
STAT6 P42226 1/20 0.61
PI4KA P42356 1/20 0.61
KMT2A Q03164 1/20 0.61
PI4K2B Q8TCG2 1/20 0.61
DOT1L Q8TEK3 1/20 0.61
SLC29A1 Q99808 1/20 0.61
PI4K2A Q9BTU6 1/20 0.61
SLC28A3 Q9HAS3 1/20 0.61

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
SCHEMBL21999056 0.92 ADORA3 (0.64) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B
SCHEMBL18521948 0.92 ADORA3 (0.64) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B
SCHEMBL12590125 0.92 ADORA3 (0.64) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B
SCHEMBL8626028 0.92 ADORA3 (0.64) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B
SCHEMBL12015181 0.92 ADORA3 (0.64) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B
SCHEMBL18521951 0.92 ADORA3 (0.64) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B
SCHEMBL12646732 0.92 ADORA3 (0.64) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B
SCHEMBL22399463 0.92 ADORA3 (0.64) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B
SCHEMBL25589310 0.89 DOT1L (0.58) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B
SCHEMBL22326678 0.89 ADORA3 (0.58) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B

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-11685761-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME LLC (US) 2023-06-27 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-11685761-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 ADORA3 117/4885ADORA1 33/4885SMN1; SMN2 3101/4885

“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.