SCHEMBL3986874

SCHEMBL3986874

C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1c1n[nH]c2c(N)ncnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.48
▸ HIF1A Q16665 2/20 0.38
▸ PI4KA P42356 2/20 0.35
▸ PI4K2B Q8TCG2 2/20 0.35
▸ PI4K2A Q9BTU6 2/20 0.35
▸ PI4KB Q9UBF8 2/20 0.35
▸ ADORA3 P0DMS8 6/20 0.35
▸ ADA P00813 1/20 0.35
▸ ADORA2B P29275 2/20 0.34
▸ ADORA1 P30542 2/20 0.34
▸ PNP P00491 1/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ SLC28A1 O00337 1/20 0.34
▸ MAP3K7 O43318 1/20 0.34
▸ SLC28A2 O43868 1/20 0.34
▸ GAPDH P04406 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ STAT6 P42226 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL13843297 1.00 ADORA2A (0.48) ADORA2AHIF1API4KAPI4K2BPI4K2A
SCHEMBL13847060 1.00 ADORA2A (0.48) ADORA2AHIF1API4KAPI4K2BPI4K2A
SCHEMBL13847202 0.85 ADORA2A (0.34) ADORA2AADORA3PNP
SCHEMBL6381103 0.81 PNP (0.51) ADORA2APNP
SCHEMBL13843355 0.81 PNP (0.51) ADORA2APNP
SCHEMBL3297704 0.81 PNP (0.51) ADORA2APNP
SCHEMBL13847064 0.81 PNP (0.51) ADORA2APNP
SCHEMBL3993915 0.79 ADORA2A (0.48) ADORA2AHIF1API4KAPI4K2BPI4K2A
SCHEMBL13843348 0.79 ADORA2A (0.48) ADORA2AHIF1API4KAPI4K2BPI4K2A
SCHEMBL13847082 0.79 ADORA2A (0.48) ADORA2AHIF1API4KAPI4K2BPI4K2A

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 8 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 claimed
US-20080021047-A1 C-Purine Nucleoside Analogs As Inhibitors Of Rna-Dependent Rna Viral Polymerase MERCK SHARP & DOHME LLC 2008-01-24 — — US claimed
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-7534767-B2 C-purine nucleoside analogs as inhibitors of RNA-dependent RNA viral polymerase MERCK & CO., INC. (US) 2009-05-19 — — US disclosed
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
US-20080021047-A1 C-Purine Nucleoside Analogs As Inhibitors Of Rna-Dependent Rna Viral Polymerase MERCK SHARP & DOHME LLC 2008-01-24 — — 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 106/4885HIF1A 3292/4885PI4KA 2314/4885

“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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