SCHEMBL25679271

SCHEMBL25679271

CCCN1CCN(c2ncnc3cc(OC)c(OC)cc23)CC1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.74
BACE1 P56817 11/20 0.74
AURKA O14965 5/20 0.71
PDE10A Q9Y233 1/20 0.64
ENPP1 P22413 2/20 0.60
TLR9 Q9NR96 1/20 0.60
TLR7 Q9NYK1 1/20 0.60
KDM1A O60341 1/20 0.59

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
SCHEMBL12255609 0.90 ACHE (0.73) ACHEBACE1AURKAPDE10AENPP1
SCHEMBL11882354 0.88 ACHE (0.88) ACHEBACE1AURKAPDE10AENPP1
Hydrochloric Acid SCHEMBL20771436 0.88 ACHE (0.70) ACHEBACE1AURKAPDE10AENPP1
SCHEMBL22300095 0.86 ACHE (0.69) ACHEBACE1AURKAPDE10AENPP1
SCHEMBL22435916 0.85 ACHE (0.67) ACHEBACE1AURKAPDE10AENPP1
SCHEMBL13790502 0.85 ACHE (1.00) ACHEBACE1AURKAPDE10AENPP1
SCHEMBL23727018 0.84 ENPP1 (0.69) ACHEBACE1AURKAPDE10AENPP1
SCHEMBL30080162 0.84 ENPP1 (0.69) ACHEBACE1AURKAPDE10AENPP1
SCHEMBL20813424 0.83 ENPP1 (0.72) ACHEBACE1AURKAPDE10AENPP1
SCHEMBL20782683 0.83 ACHE (0.65) ACHEBACE1AURKAPDE10AENPP1

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-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2023-06-15 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-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 ACHE 2363/4885BACE1 1830/4885AURKA 3607/4885

“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.