SCHEMBL18521950

SCHEMBL18521950

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 5/20 0.56
▸ ADORA1 P30542 3/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ PI4KA P42356 2/20 0.56
▸ PI4K2B Q8TCG2 2/20 0.56
▸ PI4K2A Q9BTU6 2/20 0.56
▸ PI4KB Q9UBF8 2/20 0.56
▸ ADORA2A P29274 2/20 0.56
▸ ADORA2B P29275 2/20 0.56
▸ DPP4 P27487 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ SLC28A1 O00337 1/20 0.56
▸ MAP3K7 O43318 1/20 0.56
▸ SLC28A2 O43868 1/20 0.56
▸ GAPDH P04406 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ STAT6 P42226 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ DOT1L Q8TEK3 1/20 0.56
▸ SLC29A1 Q99808 1/20 0.56

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
SCHEMBL24333634 0.88 ADORA1 (0.52) ADORA3ADORA1SMN1; SMN2PI4KAPI4K2B
SCHEMBL13986300 0.86 ADORA3 (0.59) ADORA3ADORA1SMN1; SMN2PI4KAPI4K2B
SCHEMBL13449217 0.86 ADORA3 (0.59) ADORA3ADORA1SMN1; SMN2PI4KAPI4K2B
SCHEMBL14030736 0.86 ADORA3 (0.59) ADORA3ADORA1SMN1; SMN2PI4KAPI4K2B
SCHEMBL13020615 0.85 ADORA3 (0.72) ADORA3ADORA1SMN1; SMN2PI4KAPI4K2B
SCHEMBL12376385 0.85 ADORA3 (0.56) ADORA3ADORA1SMN1; SMN2PI4KAPI4K2B
SCHEMBL384075 0.85 ADORA1 (0.74) ADORA3ADORA1SMN1; SMN2PI4KAPI4K2B
SCHEMBL21999054 0.85 ADORA3 (0.56) ADORA3ADORA1SMN1; SMN2PI4KAPI4K2B
SCHEMBL15338536 0.85 ADORA1 (0.74) ADORA3ADORA1SMN1; SMN2PI4KAPI4K2B
SCHEMBL41361 0.85 ADORA1 (0.74) ADORA3ADORA1SMN1; SMN2PI4KAPI4K2B

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-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-16 — — 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-20170044206-A1 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.

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