SCHEMBL25656152

SCHEMBL25656152

Cc1cc2ncnc(N3CCCN(CCCNS(N)(=O)=O)CC3)c2cc1C

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 13/20 0.78
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
SIRT3 Q9NTG7 1/20 0.42
DRD2 P14416 3/20 0.41
HTR2A P28223 3/20 0.41
HTR7 P34969 3/20 0.41
HTR6 P50406 3/20 0.41
HTR1A P08908 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
KIT P10721 2/20 0.41

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
SCHEMBL25656151 0.94 ENPP1 (0.69) ENPP1SIRT2SIRT1SIRT3
SCHEMBL25655997 0.91 ENPP1 (0.65) ENPP1SIRT2SIRT1SIRT3DRD2
SCHEMBL25656145 0.88 ENPP1 (0.60) ENPP1SIRT2SIRT1SIRT3
SCHEMBL23762439 0.88 ENPP1 (1.00) ENPP1TLR9TLR7KIT
SCHEMBL25656148 0.83 ENPP1 (0.54) ENPP1SIRT2SIRT1SIRT3TLR9
SCHEMBL25656150 0.82 ENPP1 (0.57) ENPP1SIRT2SIRT1SIRT3KIT
SCHEMBL23762246 0.82 ENPP1 (0.89) ENPP1TLR9TLR7KIT
SCHEMBL25656147 0.81 ENPP1 (0.51) ENPP1SIRT2SIRT1SIRT3TLR9
Hydrochloric Acid SCHEMBL30117238 0.81 ENPP1 (0.88) ENPP1TLR9TLR7KIT
Hydrochloric Acid SCHEMBL23726890 0.81 ENPP1 (0.88) ENPP1TLR9TLR7KIT

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-20230183212-A1 INHIBITORS OF ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) AND METHODS OF USE THEREOF STINGRAY THERAPEUTICS 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-20230183212-A1 INHIBITORS OF ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) AND METHODS OF USE THEREOF ENPP1, ENPP3, PPA1 ENPP1 1/4885SIRT2 1843/4885SIRT1 877/4885

“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.