SCHEMBL19827872

SCHEMBL19827872

CC(C)C(=O)Nc1nc(Cl)c2ncn([C@@H]3OC4CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]4[C@H]3O)c2n1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 4/20 0.41
▸ PDE4A P27815 2/20 0.40
▸ PDE4B Q07343 2/20 0.40
▸ PDE4C Q08493 2/20 0.40
▸ PDE4D Q08499 2/20 0.40
▸ ADORA3 P0DMS8 7/20 0.35
▸ STING1 Q86WV6 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 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
SCHEMBL18061767 1.00 ACHE (0.41) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL13030114 0.93 ACHE (0.48) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL15837352 0.89 RXFP1 (0.37) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL18061764 0.88 ACHE (0.37) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL13030116 0.86 NT5E (0.43) PDE4APDE4BPDE4CPDE4DSTING1
SCHEMBL26026455 0.85 ACHE (0.47) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL7921755 0.85 ACHE (0.37) ACHESTING1
SCHEMBL25496217 0.84 KDM4E (0.47) STING1PDE3BPDE3A
SCHEMBL19880310 0.84 KDM4E (0.47) STING1PDE3BPDE3A
SCHEMBL19509409 0.84 KDM4E (0.47) STING1PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10875885-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) 2020-12-29 — — US disclosed
US-10815266-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) 2020-10-27 — — US disclosed
US-20200331956-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) 2020-10-22 — — US disclosed
US-20190177356-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) 2019-06-13 — — US disclosed
US-10239911-B2 Beta-D-2′-deoxy-2′-alpha-fluoro-2′-beta-C-substituted-2-modified-N6-substituted purine nucleotides for HCV treatment Atea Pharmaceuticals, Inc. (US) 2019-03-26 — — US disclosed
US-10005811-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) 2018-06-26 — — US disclosed
US-20180030082-A1 BETA-D-2'-DEOXY-2'-ALPHA-FLUORO-2'BETA-C-SUBSTITUTED-2-MODIFIED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR HCV TREATMENT Atea Pharmaceuticals, Inc. 2018-02-01 — — 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 (7 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-10005811-B2 β-D-2′-deoxy-2′-α-fluoro-2′β-C-substituted-2-modified-N6-substituted purine nucleotides for HCV treatment NSUN2, PNP, NUDT1 ACHE 4799/4885PDE4A 232/4885PDE4B 267/4885
US-10239911-B2 Beta-D-2′-deoxy-2′-alpha-fluoro-2′-beta-C-substituted-2-modified-N6-substituted purine nucleotides for HCV treatment NSUN2, NUDT1, PNP ACHE 4578/4885PDE4A 277/4885PDE4B 281/4885
US-20200331956-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
US-10875885-B2 β-d-2′-deoxy-2′-α-fluoro-2′-β-c-substituted-2-modified-n6-substituted purine nucleotides for HCV treatment NSUN2, PNP, NUDT1 ACHE 4752/4885PDE4A 281/4885PDE4B 312/4885
US-10815266-B2 β-D-2′-deoxy-2′-α-fluoro-2′-β-C-substituted-2-modified-N6-substituted purine nucleotides for HCV treatment NSUN2, PNP, NUDT1 ACHE 4752/4885PDE4A 281/4885PDE4B 312/4885
US-20180030082-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 4639/4885PDE4A 294/4885PDE4B 291/4885
US-20190177356-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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