SCHEMBL21101443

SCHEMBL21101443

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

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 5/20 0.52
CDK2 P24941 5/20 0.52
CCNB1 P14635 3/20 0.52
CCNE1 P24864 3/20 0.52
AHCY P23526 4/20 0.39
PRKACA P17612 1/20 0.39
CCNA2 P20248 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
MAPK3 P27361 1/20 0.39
MAPK1 P28482 1/20 0.39
CCNA1 P78396 1/20 0.39
ADA P00813 2/20 0.34
PDE2A O00408 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 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
SCHEMBL21101586 0.87 CDK1 (0.45) CDK1CDK2CCNB1CCNE1PRKACA
SCHEMBL21101589 0.87 CDK2 (0.38) CDK1CDK2CCNB1CCNE1AHCY
SCHEMBL23790865 0.87 CDK1 (0.45) CDK1CDK2CCNB1CCNE1PRKACA
SCHEMBL21101446 0.86 CDK2 (0.36) CDK1CDK2CCNB1CCNE1AHCY
SCHEMBL22086857 0.85 AHCY (0.55) AHCYADAPDE2APDE4APDE4B
SCHEMBL21101808 0.83 CDK1 (0.34) CDK1CDK2CCNB1CCNE1AHCY
SCHEMBL21101442 0.82 CDK2 (0.47) CDK1CDK2CCNB1CCNE1PRKACA
SCHEMBL21920758 0.81 MEN1 (0.48) MAPK1
SCHEMBL17460996 0.81 HSP90AA1 (0.41) CDK1CDK2CCNB1CCNE1AHCY
SCHEMBL24938834 0.79 CDK1 (0.47) CDK1CDK2CCNB1CCNE1AHCY

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 CDK1 3678/4885CDK2 1995/4885CCNB1 3888/4885
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 CDK1 3744/4885CDK2 1661/4885CCNB1 2867/4885

“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.