SCHEMBL23589227

SCHEMBL23589227

COC(=O)c1ccc2nc(-c3ccccc3)c(N3CCC(NCc4cccc(-c5nc6ccc(C(=O)OC)cc6nc5N5CCC(N(C)C(=O)OC(C)(C)C)CC5)c4)CC3)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 15/20 0.45
▸ PIK3CD O00329 1/20 0.39
▸ HPGD P15428 1/20 0.38

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
SCHEMBL10204343 0.90 NAMPT (0.50) NAMPTPIK3CDHPGD
SCHEMBL10204342 0.83 NAMPT (0.50) NAMPTPIK3CDHPGD
SCHEMBL1458106 0.80 HPGD (0.48) NAMPTHPGD
SCHEMBL10204341 0.79 CKS1B (0.57) NAMPTHPGD
SCHEMBL1458676 0.77 NAMPT (0.52) NAMPTHPGD
SCHEMBL1458701 0.76 HPGD (0.52) NAMPTHPGD
SCHEMBL10204327 0.75 HPGD (0.47) NAMPTHPGD
SCHEMBL1458722 0.75 HPGD (0.50) NAMPTHPGD
SCHEMBL1458738 0.75 CKS1B (0.52) NAMPTHPGD
SCHEMBL1459727 0.74 HPGD (0.53) NAMPTHPGD

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-20210198216-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX LLC (US) 2021-07-01 — — 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-20210198216-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 NAMPT 544/4885PIK3CD 648/4885HPGD 824/4885

“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.

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