SCHEMBL10208056

SCHEMBL10208056

Cc1nc(N)c2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@@]3(C)O)c2n1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 6/20 0.52
▸ ADA P00813 1/20 0.48
▸ ADORA3 P0DMS8 7/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ SLC29A1 Q99808 1/20 0.42
▸ PRMT5 O14744 6/20 0.41
▸ WDR77 Q9BQA1 4/20 0.39
▸ ADORA2B P29275 4/20 0.39
▸ ADORA1 P30542 4/20 0.39
▸ ALOX15 P16050 1/20 0.39

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
SCHEMBL12150880 0.90 ADORA2A (0.53) ADORA2AADAADORA3PDE4DPDE3A
SCHEMBL474846 0.90 ADORA2A (0.53) ADORA2AADAADORA3PDE4DPDE3A
SCHEMBL12031227 0.90 ADORA2A (0.53) ADORA2AADAADORA3PDE4DPDE3A
SCHEMBL12154572 0.90 ADORA2A (0.53) ADORA2AADAADORA3PDE4DPDE3A
SCHEMBL12447020 0.88 ADORA2A (0.51) ADORA2AADAADORA3PDE4DPDE3A
SCHEMBL730785 0.88 ADORA2A (0.51) ADORA2AADAADORA3PDE4DPDE3A
SCHEMBL13650037 0.86 ADORA2A (0.49) ADORA2AADAADORA3PDE4DPDE3A
SCHEMBL5481579 0.84 ADORA2A (0.49) ADORA2AADAADORA3PDE4DPDE3A
Beta-2'-C-Methyl-7-Deaza-Adenosine SCHEMBL12149452 0.83 ADORA2A (0.67) ADORA2AADAADORA3PRMT5WDR77
Beta-2'-C-Methyl-7-Deaza-Adenosine SCHEMBL13772636 0.83 ADORA2A (0.67) ADORA2AADAADORA3PRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481712-B2 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase MERCK SHARP & DOHME CORP. (US) 2013-07-09 — — US disclosed
US-8481712-B2 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase MERCK SHARP & DOHME CORP. (US) 2013-07-09 — — US disclosed
US-20120165515-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase MERCK SHARP & DOHME LLC 2012-06-28 — — 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-20120165515-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase NSUN2, NSUN3, POLRMT ADORA2A 416/4885ADA 145/4885ADORA3 334/4885

“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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