SCHEMBL24829641

SCHEMBL24829641

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 5/20 0.53
CDK2 P24941 5/20 0.53
CCNB1 P14635 3/20 0.53
CCNE1 P24864 3/20 0.53
AHCY P23526 5/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 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
HSP90B1 P14625 1/20 0.35
ADORA2A P29274 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
SCHEMBL19049964 0.89 CDK1 (0.52) CDK1CDK2CCNB1CCNE1AHCY
SCHEMBL19049976 0.88 HSP90AB1 (0.42) CDK1CDK2CCNB1CCNE1HSP90AA1
SCHEMBL25614254 0.86 CDK1 (0.39) CDK1CDK2CCNB1CCNE1
SCHEMBL21710849 0.82 ADORA2A (0.49) CDK1CDK2CCNB1CCNE1ADORA2A
SCHEMBL23982304 0.81 CDK1 (0.54) CDK1CDK2CCNB1CCNE1AHCY
SCHEMBL25605605 0.80 CDK1 (0.50) CDK1CDK2CCNB1CCNE1AHCY
SCHEMBL23169714 0.79 MEN1 (0.52)
SCHEMBL24829634 0.79 CCNE1 (0.55) CDK1CDK2CCNB1CCNE1AHCY
SCHEMBL22224567 0.75 CDK2 (0.44) CDK1CDK2CCNB1CCNE1PRKACA
SCHEMBL24082030 0.75 CDK2 (0.36) CDK1CDK2CCNB1CCNE1PRKACA

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-11542505-B1 Substituted RIG-I agonists: compositions and methods thereof MERCK SHARP & DOHME LLC (US) 2023-01-03 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-11542505-B1 Substituted RIG-I agonists: compositions and methods thereof MAVS, TLR3, DDX18 CDK1 4008/4885CDK2 3569/4885CCNB1 4653/4885

“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.