SCHEMBL21101697

SCHEMBL21101697

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 16/20 0.50
CDK5R1 Q15078 14/20 0.50
CDK2 P24941 5/20 0.37
CCNA2 P20248 2/20 0.37
CCNA1 P78396 2/20 0.37
DYRK1A Q13627 2/20 0.37
CCNE1 P24864 2/20 0.37
CCNE2 O96020 1/20 0.37
CDK1 P06493 3/20 0.36
CDK4 P11802 1/20 0.36
CCNB1 P14635 1/20 0.36
CCND1 P24385 1/20 0.36
MAPK1 P28482 1/20 0.36
CDK7 P50613 1/20 0.36
CCNH P51946 1/20 0.36
CDK9 P50750 1/20 0.36

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 0.83 CDK1 (0.45) CDK2CCNA2CCNA1CCNE1CCNE2
SCHEMBL21101586 0.83 CDK1 (0.45) CDK2CCNA2CCNA1CCNE1CCNE2
SCHEMBL19644879 0.79 CDK5 (0.42) CDK5CDK5R1CDK2CCNA2CCNA1
SCHEMBL24938834 0.76 CDK1 (0.47) CDK5CDK2CCNA2CCNA1CCNE1
SCHEMBL22889508 0.74 CDK5 (0.45) CDK5CDK5R1CDK2CCNA2CCNA1
SCHEMBL21101443 0.72 CDK1 (0.52) CDK2CCNA2CCNA1CCNE1CDK1
SCHEMBL19644878 0.72 CDK1 (0.40) CDK2CCNA2CCNA1CCNE1CDK1
SCHEMBL21101654 0.72 CDK1 (0.40) CDK2CCNA2CCNA1CCNE1CDK1
SCHEMBL21920758 0.71 MEN1 (0.48) MAPK1
SCHEMBL21101589 0.69 CDK2 (0.38) CDK5CDK2CCNA2CCNA1CCNE1

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 CDK5 3979/4885CDK5R1 4111/4885CDK2 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 CDK5 3615/4885CDK5R1 3758/4885CDK2 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.