SCHEMBL25656166

SCHEMBL25656166

Cc1cc2ncnc(N3CCCN(C(=O)CCNC(=O)OC(C)(C)C)CC3)c2cc1C

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 3/20 0.56
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
SIRT3 Q9NTG7 1/20 0.46
AURKA O14965 1/20 0.46
SIGMAR1 Q99720 1/20 0.43
PDGFRB P09619 11/20 0.42
PDGFRA P16234 7/20 0.42
KIT P10721 1/20 0.42
ACHE P22303 1/20 0.42
BACE1 P56817 1/20 0.42
MTNR1B P49286 1/20 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
SCHEMBL25656163 0.91 ENPP1 (0.54) ENPP1SIRT2SIRT1SIRT3AURKA
SCHEMBL23762459 0.90 ENPP1 (0.70) ENPP1AURKAPDGFRBPDGFRAACHE
SCHEMBL25656169 0.88 ENPP1 (0.59) ENPP1SIRT2SIRT1SIRT3AURKA
SCHEMBL25656168 0.83 ENPP1 (0.58) ENPP1AURKAPDGFRBPDGFRAKIT
SCHEMBL25656100 0.83 KIT (0.53) ENPP1AURKAPDGFRBPDGFRAKIT
SCHEMBL25656001 0.81 ENPP1 (0.66) ENPP1SIRT2SIRT1SIRT3AURKA
SCHEMBL25656175 0.81 ENPP1 (0.53) ENPP1SIGMAR1PDGFRB
SCHEMBL25656167 0.81 ENPP1 (0.57) ENPP1AURKAPDGFRBPDGFRAACHE
SCHEMBL25656170 0.81 ENPP1 (0.79) ENPP1AURKAPDGFRBPDGFRAACHE
SCHEMBL23762233 0.80 ENPP1 (0.69) ENPP1AURKAPDGFRBPDGFRAACHE

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.