SCHEMBL21101442

SCHEMBL21101442

C[C@H](O)C(CO)O[C@H](CF)n1cnc2c(N(C)C3CC3)nc(N)nc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.47
CCNE1 P24864 3/20 0.47
CCNE2 O96020 1/20 0.47
CDK1 P06493 4/20 0.35
CCNB1 P14635 2/20 0.34
PRKACA P17612 1/20 0.33
CCNA2 P20248 1/20 0.33
PRKACG P22612 1/20 0.33
PRKACB P22694 1/20 0.33
MAPK3 P27361 1/20 0.33
MAPK1 P28482 1/20 0.33
CCNA1 P78396 1/20 0.33
MAP3K12 Q12852 2/20 0.32
NT5E P21589 2/20 0.31

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
SCHEMBL19644902 0.90 CCNE2 (0.42) CDK2CCNE1CCNE2CDK1MAP3K12
SCHEMBL21101450 0.90 CCNE2 (0.42) CDK2CCNE1CCNE2CDK1MAP3K12
SCHEMBL21101589 0.89 CDK2 (0.38) CDK2CCNE1CCNE2CDK1CCNB1
SCHEMBL21101446 0.87 CDK2 (0.36) CDK2CCNE1CCNE2CDK1CCNB1
SCHEMBL21101808 0.84 CDK1 (0.34) CDK2CCNE1CCNE2CDK1CCNB1
SCHEMBL24939845 0.83 CDK2 (0.43) CDK2CCNE1CCNE2CDK1CCNB1
SCHEMBL21101443 0.82 CDK1 (0.52) CDK2CCNE1CDK1CCNB1PRKACA
SCHEMBL21136339 0.81 CDK2 (0.40) CDK2CCNE1CCNE2CDK1CCNB1
SCHEMBL19644706 0.80 CDK2 (0.49) CDK2CCNE1CCNE2CDK1CCNB1
SCHEMBL21136340 0.80 CCNE2 (0.34) CDK2CCNE1CCNE2

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 CDK2 1995/4885CCNE1 4041/4885CCNE2 3886/4885
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 CDK2 1661/4885CCNE1 3354/4885CCNE2 3057/4885

“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.