SCHEMBL12636459

SCHEMBL12636459

Nc1nc(N)c2ncn([C@@H]3S[C@H](CO)[C@H](O)C3O)c2n1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 5/20 0.58
▸ ADORA2A P29274 3/20 0.48
▸ ADORA3 P0DMS8 2/20 0.48
▸ ADORA1 P30542 1/20 0.48
▸ NT5E P21589 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ HSP90B1 P14625 1/20 0.45
▸ ADORA2B P29275 1/20 0.44
▸ CYP2C19 P33261 1/20 0.43
▸ CDK1 P06493 1/20 0.43
▸ CCNB1 P14635 1/20 0.43
▸ CCNE1 P24864 1/20 0.43
▸ CDK2 P24941 1/20 0.43

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
SCHEMBL8709942 1.00 AHCY (0.58) AHCYADORA2AADORA3ADORA1NT5E
SCHEMBL12929183 1.00 AHCY (0.58) AHCYADORA2AADORA3ADORA1NT5E
SCHEMBL12960582 1.00 AHCY (0.58) AHCYADORA2AADORA3ADORA1NT5E
SCHEMBL3746390 1.00 AHCY (0.58) AHCYADORA2AADORA3ADORA1NT5E
SCHEMBL3750374 1.00 AHCY (0.58) AHCYADORA2AADORA3ADORA1NT5E
SCHEMBL8709225 1.00 AHCY (0.58) AHCYADORA2AADORA3ADORA1NT5E
SCHEMBL3746380 1.00 AHCY (0.58) AHCYADORA2AADORA3ADORA1NT5E
SCHEMBL8215983 0.89 AHCY (0.55) AHCYADORA2AADORA3ADORA1NT5E
SCHEMBL8222030 0.89 AHCY (0.55) AHCYADORA2AADORA3ADORA1NT5E
SCHEMBL8215986 0.89 AHCY (0.55) AHCYADORA2AADORA3ADORA1NT5E

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-7939677-B2 Oligomeric compounds comprising 4′-thionucleosides for use in gene modulation ISIS PHARMACEUTICALS, INC. (US) 2011-05-10 — — US disclosed
US-20100324277-A1 OLIGOMERIC COMPOUNDS COMPRISING 4'-THIONUCLEOSIDES FOR USE IN GENE MODULATION ISIS PHARMACEUTICALS, INC. (US) 2010-12-23 — — 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-20100324277-A1 OLIGOMERIC COMPOUNDS COMPRISING 4'-THIONUCLEOSIDES FOR USE IN GENE MODULATION SNRPE, NSUN3, NSUN2 AHCY 1651/4885ADORA2A 2653/4885ADORA3 2692/4885

“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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