SCHEMBL18061764

SCHEMBL18061764

CC(C)C(=O)Nc1nc(Cl)c2ncn([C@@H]3O[C@@H]4CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]4[C@H]3C#C[Si](C)(C)C)c2n1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 4/20 0.37
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ CDK5 Q00535 1/20 0.30
▸ CDK5R1 Q15078 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL18061767 0.88 ACHE (0.41) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL19827872 0.88 ACHE (0.41) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL26026455 0.81 ACHE (0.47) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL13030114 0.81 ACHE (0.48) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL7921755 0.81 ACHE (0.37) ACHECDK5CDK5R1KDM4E
SCHEMBL21136249 0.80 ACHE (0.33) ACHE
SCHEMBL26780426 0.80 ACHE (0.33) ACHE
SCHEMBL30534045 0.80 ACHE (0.33) ACHE
SCHEMBL18061770 0.80 ACHE (0.33) ACHE
SCHEMBL30534077 0.80 ACHE (0.33) ACHECDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828410-B2 β-D-2′-deoxy-2′-α-fluoro-2′-β-C-substituted-2-modified-N6-substituted purine nucleotides for HCV treatment Atea Pharmaceuticals, Inc. (US) 2017-11-28 — — US disclosed
US-9828410-B2 β-D-2′-deoxy-2′-α-fluoro-2′-β-C-substituted-2-modified-N6-substituted purine nucleotides for HCV treatment Atea Pharmaceuticals, Inc. (US) 2017-11-28 — — US disclosed
US-20160257706-A1 Beta-D-2'-DEOXY-2'-alpha-FLUORO-2'-beta-C-SUBSTITUTED-2-MODIFIED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR HCV TREATMENT Atea Pharmaceuticals, Inc. (US) 2016-09-08 — — US disclosed
US-20160257706-A1 Beta-D-2'-DEOXY-2'-alpha-FLUORO-2'-beta-C-SUBSTITUTED-2-MODIFIED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR HCV TREATMENT Atea Pharmaceuticals, Inc. (US) 2016-09-08 — — 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-20160257706-A1 Beta-D-2'-DEOXY-2'-alpha-FLUORO-2'-beta-C-SUBSTITUTED-2-MODIFIED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR HCV TREATMENT NSUN2, NUDT1, DCTD ACHE 4553/4885PDE4A 296/4885PDE4B 289/4885

“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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