SCHEMBL22399463

SCHEMBL22399463

COC[C@H]1OC(n2cnc3c(N)ncnc32)C(O)[C@H]1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.64
ADORA1 P30542 4/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
ADORA2A P29274 2/20 0.64
ADORA2B P29275 2/20 0.64
DPP4 P27487 1/20 0.64
MEN1 O00255 1/20 0.64
SLC28A1 O00337 1/20 0.64
MAP3K7 O43318 1/20 0.64
SLC28A2 O43868 1/20 0.64
GAPDH P04406 1/20 0.64
MAPK1 P28482 1/20 0.64
STAT6 P42226 1/20 0.64
PI4KA P42356 1/20 0.64
KMT2A Q03164 1/20 0.64
PI4K2B Q8TCG2 1/20 0.64
DOT1L Q8TEK3 1/20 0.64
SLC29A1 Q99808 1/20 0.64
PI4K2A Q9BTU6 1/20 0.64
SLC28A3 Q9HAS3 1/20 0.64

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
SCHEMBL12646732 1.00 ADORA3 (0.64) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B
SCHEMBL21999056 1.00 ADORA3 (0.64) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B
SCHEMBL8626028 1.00 ADORA3 (0.64) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B
SCHEMBL12015181 1.00 ADORA3 (0.64) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B
SCHEMBL12590125 1.00 ADORA3 (0.64) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B
SCHEMBL18521948 1.00 ADORA3 (0.64) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B
SCHEMBL18521951 1.00 ADORA3 (0.64) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B
SCHEMBL24292047 0.92 ADORA3 (0.61) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B
SCHEMBL25812959 0.92 ADORA3 (0.61) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B
SCHEMBL21999233 0.91 ADORA3 (0.64) 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-10766919-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME CORP. (US) 2020-09-08 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-10766919-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 ADORA3 110/4885ADORA1 32/4885SMN1; SMN2 3075/4885

“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.