SCHEMBL25809396

SCHEMBL25809396

CC(N)n1cc(F)c2c(=O)[nH]cnc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.39
MAPT P10636 7/20 0.38
SRC P12931 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 4/20 0.35
HTT P42858 1/20 0.35
MTOR P42345 1/20 0.34
RICTOR Q6R327 1/20 0.34
RPTOR Q8N122 1/20 0.34
MAPKAP1 Q9BPZ7 1/20 0.34
MLST8 Q9BVC4 1/20 0.34
KMT2A Q03164 1/20 0.33
PKM P14618 1/20 0.33
GAA P10253 1/20 0.33
CYP1A2 P05177 1/20 0.33
ADORA2B P29275 1/20 0.33
PDPK1 O15530 1/20 0.33

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
SCHEMBL20224910 0.88 PARP1 (0.41) PARP1MAPTSRCALDH1A1LMNA
SCHEMBL21137166 0.83 PARP1 (0.37) PARP1MAPTSRCALDH1A1LMNA
SCHEMBL23228188 0.82 CDK2 (0.40) PARP1MAPTSRCALDH1A1LMNA
SCHEMBL23228137 0.81 PARP1 (0.38) PARP1MAPTSRCALDH1A1LMNA
SCHEMBL21137207 0.79 SMN1; SMN2 (0.38) PARP1MAPTSRCALDH1A1LMNA
SCHEMBL22326808 0.78 TYMS (0.41) MTORRICTORRPTORMAPKAP1MLST8
SCHEMBL21137169 0.76 PARP1 (0.44) PARP1MAPTSRCALDH1A1LMNA
SCHEMBL20224829 0.76 PARP1 (0.44) PARP1MAPTSRCALDH1A1LMNA
SCHEMBL22381516 0.74 PI4KB (0.41) SRCMTORADORA2B
SCHEMBL21137719 0.73 ADORA2B (0.38) PARP1MAPTALDH1A1ADORA2B

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 PARP1 86/4885MAPT 4841/4885SRC 4806/4885

“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.