SCHEMBL21101711

SCHEMBL21101711

C#C[C@H](O)C(CO[PH](=O)N[C@@H](C)C(=O)OC(C)C)O[C@H](CF)n1cnc2c(N(C)C3CC3)nc(N)nc21

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 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
SCHEMBL21101704 0.93 CCNE2 (0.36) CCNE2CCNE1CDK2
SCHEMBL21101702 0.93 CCNE2 (0.36) CCNE2CCNE1CDK2
SCHEMBL21101587 0.92
SCHEMBL21101708 0.86 ADORA3 (0.34) CDK2
SCHEMBL21101449 0.84 CDK1 (0.30) CDK2
SCHEMBL21101705 0.83
SCHEMBL19833192 0.83 CCNE2 (0.37) CCNE2CCNE1CDK2
SCHEMBL21101447 0.81
SCHEMBL21101450 0.81 CCNE2 (0.42) CCNE2CCNE1CDK2
SCHEMBL19644902 0.81 CCNE2 (0.42) CCNE2CCNE1CDK2

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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-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 CCNE2 3886/4885CCNE1 4041/4885CDK2 1995/4885
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 CCNE2 3057/4885CCNE1 3354/4885CDK2 1661/4885

“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.