SCHEMBL25819439

SCHEMBL25819439

CCOc1nc(N)nc2c1ncn2NNC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 7/20 0.39
CDK2 P24941 6/20 0.39
CCNB1 P14635 5/20 0.39
CCNE1 P24864 5/20 0.39
HSP90AB1 P08238 4/20 0.35
HSP90AA1 P07900 3/20 0.35
PRKACA P17612 1/20 0.33
CCNA2 P20248 1/20 0.33
PRKACG P22612 1/20 0.33
PRKACB P22694 1/20 0.33
MAPK3 P27361 1/20 0.33
MAPK1 P28482 1/20 0.33
CCNA1 P78396 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
SLC29A1 Q99808 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA1 P30542 1/20 0.31

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
SCHEMBL18521155 0.89 CDK1 (0.41) CDK1CDK2CCNB1CCNE1HSP90AB1
SCHEMBL18521594 0.86 CDK1 (0.44) CDK1CDK2CCNB1CCNE1HSP90AB1
SCHEMBL24239210 0.79 CDK1 (0.53) CDK1CDK2CCNB1CCNE1HSP90AB1
SCHEMBL18521819 0.78 CDK1 (0.44) CDK1CDK2CCNB1CCNE1HSP90AB1
SCHEMBL12522765 0.78 CDK1 (0.50) CDK1CDK2CCNB1CCNE1HSP90AB1
SCHEMBL18521191 0.77 CCNE1 (0.67) CDK1CDK2CCNB1CCNE1HSP90AB1
SCHEMBL22571190 0.74 PI4KA (0.45) CDK1CDK2CCNB1CCNE1HSP90AB1
SCHEMBL22474871 0.74 CCNE1 (0.51) CDK1CDK2CCNB1CCNE1HSP90AB1
SCHEMBL20782336 0.74 CDK1 (0.58) CDK1CDK2CCNB1CCNE1HSP90AB1
SCHEMBL12451379 0.74 CDK1 (0.63) 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-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 1548/4885CDK2 3886/4885CCNB1 2850/4885

“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.