SCHEMBL25819820

SCHEMBL25819820

CNN(N)n1cnc2c(N)nc(N)nc21

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 8/20 0.51
CCNB1 P14635 5/20 0.51
CCNE1 P24864 5/20 0.51
CDK2 P24941 5/20 0.51
AHCY P23526 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
HSP90B1 P14625 1/20 0.36
ADORA2A P29274 3/20 0.34
ADORA1 P30542 2/20 0.34
HINT1 P49773 1/20 0.33
PI4KA P42356 2/20 0.32
PI4K2B Q8TCG2 2/20 0.32
PI4K2A Q9BTU6 2/20 0.32
PI4KB Q9UBF8 2/20 0.32
ADORA2B P29275 1/20 0.32

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
SCHEMBL24499765 0.75 CDK1 (0.56) CDK1CCNB1CCNE1CDK2AHCY
SCHEMBL24239210 0.72 CDK1 (0.53) CDK1CCNB1CCNE1CDK2AHCY
SCHEMBL20460821 0.72 CDK1 (0.56) CDK1CCNB1CCNE1CDK2AHCY
SCHEMBL129642 0.72 CDK1 (0.68) CDK1CCNB1CCNE1CDK2AHCY
SCHEMBL27983442 0.71 CDK1 (0.59) CDK1CCNB1CCNE1CDK2AHCY
SCHEMBL21539217 0.70 CDK1 (0.71) CDK1CCNB1CCNE1CDK2AHCY
SCHEMBL6510998 0.70 CDK1 (0.58) CDK1CCNB1CCNE1CDK2AHCY
SCHEMBL3964706 0.69 CDK1 (0.57) CDK1CCNB1CCNE1CDK2AHCY
SCHEMBL23866997 0.69 XDH (0.36)
SCHEMBL7660090 0.68 CDK1 (0.56) CDK1CCNB1CCNE1CDK2AHCY

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-11685761-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME LLC (US) 2023-06-27 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-11685761-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 CDK1 1548/4885CCNB1 2850/4885CCNE1 2505/4885

“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.