SCHEMBL16174393

SCHEMBL16174393

C[C@]1(O)C(n2ncc3c(N)ncnc32)O[C@H](CO)[C@H]1O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 7/20 0.61
▸ ADORA3 P0DMS8 7/20 0.46
▸ ADORA1 P30542 3/20 0.46
▸ ADORA2B P29275 2/20 0.46
▸ ATG7 O95352 1/20 0.46
▸ ADA P00813 1/20 0.42
▸ PI4KA P42356 1/20 0.41
▸ PI4K2B Q8TCG2 1/20 0.41
▸ PI4K2A Q9BTU6 1/20 0.41
▸ PI4KB Q9UBF8 1/20 0.41
▸ PRMT5 O14744 3/20 0.40
▸ WDR77 Q9BQA1 3/20 0.40

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
SCHEMBL1737331 1.00 ADORA2A (0.61) ADORA2AADORA3ADORA1ADORA2BATG7
SCHEMBL13598822 0.86 ADORA2A (0.50) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL14075956 0.86 ADORA2A (0.50) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL13598784 0.86 ADORA2A (0.50) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL4423328 0.86 ADORA2A (0.50) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL14089315 0.85 ADORA3 (0.50) ADORA2AADORA3ADORA1ADORA2BPRMT5
SCHEMBL4426285 0.85 ADORA3 (0.50) ADORA2AADORA3ADORA1ADORA2BPRMT5
SCHEMBL13598668 0.85 ADORA3 (0.50) ADORA2AADORA3ADORA1ADORA2BPRMT5
SCHEMBL13598823 0.85 ADORA3 (0.50) ADORA2AADORA3ADORA1ADORA2BPRMT5
SCHEMBL14089579 0.83 ADORA3 (0.50) ADORA2AADORA3ADORA1ADORA2BPRMT5

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-20140309412-A1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYMERASE IONIS PHARMACEUTICALS, INC. 2014-10-16 — — 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-20140309412-A1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYMERASE NSUN2, NSUN3, POLRMT ADORA2A 416/4885ADORA3 334/4885ADORA1 550/4885

“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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