SCHEMBL24829634

SCHEMBL24829634

CO[C@H](CO)[C@@H](O)Cn1cnc2c(N)nc(N)nc21

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 5/20 0.55
CDK2 P24941 5/20 0.55
CDK1 P06493 4/20 0.55
CCNB1 P14635 4/20 0.55
HSP90AA1 P07900 3/20 0.47
HSP90AB1 P08238 3/20 0.47
AHCY P23526 3/20 0.46
ADORA2A P29274 2/20 0.46
ADORA1 P30542 1/20 0.44
SLC29A1 Q99808 1/20 0.41
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL12964251 0.85 CCNE1 (0.57) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL22448462 0.84 AHCY (0.67) AHCYADORA2AADORA1ALDH1A1
SCHEMBL20671021 0.84 AHCY (0.67) AHCYADORA2AADORA1ALDH1A1
SCHEMBL23710566 0.81 AHCY (0.68) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL10642386 0.80 CCNE1 (0.51) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL7263234 0.80 ADORA2A (0.67) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL7268668 0.80 ADORA2A (0.67) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL7263232 0.80 ADORA2A (0.67) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL7749494 0.80 CCNE1 (0.65) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL16131314 0.80 CCNE1 (0.57) CCNE1CDK2CDK1CCNB1HSP90AA1

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 CCNE1 4435/4885CDK2 3569/4885CDK1 4008/4885

“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.