SCHEMBL30446159

SCHEMBL30446159

COc1cc2ncnc(N3CCN(C(=O)CNC(=O)OC(C)(C)C)CC3)c2cc1OC

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 3/20 0.63
ACHE P22303 1/20 0.62
BACE1 P56817 1/20 0.62
AURKA O14965 1/20 0.61
PDGFRB P09619 15/20 0.60
PDGFRA P16234 10/20 0.60

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
SCHEMBL20782841 1.00 ENPP1 (0.63) ENPP1ACHEBACE1AURKAPDGFRB
SCHEMBL30117255 0.96 ENPP1 (0.69) ENPP1ACHEBACE1AURKAPDGFRB
SCHEMBL23762233 0.96 ENPP1 (0.69) ENPP1ACHEBACE1AURKAPDGFRB
SCHEMBL20782843 0.87 ENPP1 (0.67) ENPP1ACHEBACE1AURKAPDGFRB
SCHEMBL23762459 0.87 ENPP1 (0.70) ENPP1ACHEBACE1AURKAPDGFRB
SCHEMBL30446746 0.87 ENPP1 (0.67) ENPP1ACHEBACE1AURKAPDGFRB
SCHEMBL20771006 0.87 ENPP1 (0.69) ENPP1ACHEBACE1AURKAPDGFRB
SCHEMBL25656163 0.85 ENPP1 (0.54) ENPP1ACHEBACE1AURKAPDGFRB
SCHEMBL20782684 0.85 DRD2 (0.58) ENPP1ACHEBACE1AURKAPDGFRB
SCHEMBL30446175 0.85 DRD2 (0.58) ENPP1ACHEBACE1AURKAPDGFRB

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 ENPP1 1/4885ACHE 2363/4885BACE1 1830/4885

“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.