SCHEMBL21101586

SCHEMBL21101586

CNc1nc(N)nc2c1ncn2[C@@H](CF)OC(CO)[C@H](C)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 6/20 0.45
CDK2 P24941 5/20 0.45
PRKACA P17612 1/20 0.45
CCNA2 P20248 1/20 0.45
PRKACG P22612 1/20 0.45
PRKACB P22694 1/20 0.45
MAPK3 P27361 1/20 0.45
MAPK1 P28482 1/20 0.45
CCNA1 P78396 1/20 0.45
ADORA3 P0DMS8 4/20 0.42
ADORA1 P30542 4/20 0.42
ADORA2B P29275 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC8 Q9BY41 1/20 0.39
CCNE1 P24864 4/20 0.38
CCNB1 P14635 4/20 0.38
CCNE2 O96020 1/20 0.34
CCNB2 O95067 2/20 0.34
CCNB3 Q8WWL7 2/20 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
SCHEMBL23790865 1.00 CDK1 (0.45) CDK1CDK2PRKACACCNA2PRKACG
SCHEMBL24938834 0.93 CDK1 (0.47) CDK1CDK2PRKACACCNA2PRKACG
SCHEMBL21101654 0.88 CDK1 (0.40) CDK1CDK2PRKACACCNA2PRKACG
SCHEMBL19644878 0.88 CDK1 (0.40) CDK1CDK2PRKACACCNA2PRKACG
SCHEMBL21101443 0.87 CDK1 (0.52) CDK1CDK2PRKACACCNA2PRKACG
SCHEMBL21101589 0.84 CDK2 (0.38) CDK1CDK2PRKACACCNA2PRKACG
SCHEMBL21101697 0.83 CDK5 (0.50) CDK1CDK2CCNA2MAPK1CCNA1
SCHEMBL24939921 0.82 CDK2 (0.42) CDK1CDK2PRKACACCNA2PRKACG
SCHEMBL23992673 0.82 CDK2 (0.44) CDK1CDK2PRKACACCNA2PRKACG
SCHEMBL21101446 0.82 CDK2 (0.36) CDK1CDK2PRKACACCNA2PRKACG

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 1995/4885PRKACA 1632/4885
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 1661/4885PRKACA 1469/4885

“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.