SCHEMBL24938834

SCHEMBL24938834

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 6/20 0.47
CDK2 P24941 5/20 0.47
PRKACA P17612 1/20 0.47
CCNA2 P20248 1/20 0.47
PRKACG P22612 1/20 0.47
PRKACB P22694 1/20 0.47
MAPK3 P27361 1/20 0.47
MAPK1 P28482 1/20 0.47
CCNA1 P78396 1/20 0.47
ADORA3 P0DMS8 3/20 0.44
ADORA1 P30542 3/20 0.44
ADORA2B P29275 1/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 1/20 0.40
CCNE1 P24864 4/20 0.40
CCNB1 P14635 3/20 0.40
AHCY P23526 1/20 0.38
CCNE2 O96020 1/20 0.36
CCNB2 O95067 1/20 0.35

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 0.93 CDK1 (0.45) CDK1CDK2PRKACACCNA2PRKACG
SCHEMBL23790865 0.93 CDK1 (0.45) CDK1CDK2PRKACACCNA2PRKACG
SCHEMBL24939921 0.89 CDK2 (0.42) CDK1CDK2PRKACACCNA2PRKACG
SCHEMBL24939936 0.87 CDK2 (0.49) CDK1CDK2PRKACACCNA2PRKACG
SCHEMBL13286375 0.85 CDK1 (0.57) CDK1CDK2CCNA2MAPK3MAPK1
SCHEMBL17460996 0.84 HSP90AA1 (0.41) CDK1CDK2PRKACACCNA2PRKACG
SCHEMBL21136339 0.83 CDK2 (0.40) CDK1CDK2PRKACACCNA2PRKACG
SCHEMBL21101654 0.81 CDK1 (0.40) CDK1CDK2PRKACACCNA2PRKACG
SCHEMBL19644878 0.81 CDK1 (0.40) CDK1CDK2PRKACACCNA2PRKACG
SCHEMBL23761041 0.79 CDK2 (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230017958-A1 2'-SUBSTITUTED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR RNA VIRUS TREATMENT Atea Pharmaceuticals, Inc. (US) 2023-01-19 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 (1 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-20230017958-A1 2'-SUBSTITUTED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR RNA VIRUS TREATMENT NSUN2, ADAR, NSUN3 CDK1 2349/4885CDK2 1333/4885PRKACA 2473/4885

“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.