SCHEMBL13843349

SCHEMBL13843349

C[C@@]1(OCc2ccccc2)[C@H](O)C(CO)O[C@H]1c1noc2c(N)ncnc12

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 3/20 0.37
▸ ADORA3 P0DMS8 2/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ HSPA5 P11021 1/20 0.35
▸ HIF1A Q16665 1/20 0.34
▸ HSPA8 P11142 2/20 0.34
▸ SLC28A2 O43868 2/20 0.34
▸ SLC29A1 Q99808 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ GAPDH P04406 1/20 0.33
▸ AHCY P23526 2/20 0.33
▸ MGMT P16455 2/20 0.32

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
SCHEMBL13843313 0.83 ADORA2A (0.37) ADORA2AADORA3ADORA2BHSPA5HIF1A
SCHEMBL13847083 0.83 ADORA2A (0.37) ADORA2AADORA3ADORA2BHSPA5HIF1A
SCHEMBL13847082 0.81 ADORA2A (0.48) ADORA2AADORA3ADORA2BHSPA5HIF1A
SCHEMBL13843348 0.81 ADORA2A (0.48) ADORA2AADORA3ADORA2BHSPA5HIF1A
SCHEMBL3993915 0.81 ADORA2A (0.48) ADORA2AADORA3ADORA2BHSPA5HIF1A
SCHEMBL13843356 0.79 MTAP (0.43) —
SCHEMBL13847228 0.79 MTAP (0.43) —
SCHEMBL13843333 0.77 CYP1A2 (0.30) ADORA2AADORA2BCYP1A2
SCHEMBL13847197 0.68 ADORA2A (0.35) ADORA2AADORA3HIF1A
SCHEMBL13847181 0.67 ADORA2A (0.34) ADORA2AADORA3HSPA8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534767-B2 C-purine nucleoside analogs as inhibitors of RNA-dependent RNA viral polymerase MERCK & CO., INC. (US) 2009-05-19 — — US disclosed
US-20080021047-A1 C-Purine Nucleoside Analogs As Inhibitors Of Rna-Dependent Rna Viral Polymerase MERCK SHARP & DOHME LLC 2008-01-24 — — 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-20080021047-A1 C-Purine Nucleoside Analogs As Inhibitors Of Rna-Dependent Rna Viral Polymerase NSUN2, PNP, RNGTT ADORA2A 106/4885ADORA3 95/4885ADORA2B 96/4885

“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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