SCHEMBL21657335

SCHEMBL21657335

Nc1ccc(CNC(O)c2ccnc(Cc3ccc4ncc(Cl)cc4c3)c2)c(C(F)(F)F)n1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 20/20 0.51
▸ MAP4K1 Q92918 20/20 0.51

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
SCHEMBL17442710 0.82 KLKB1 (0.74) KLKB1MAP4K1
SCHEMBL18369394 0.72 KLKB1 (0.69) KLKB1MAP4K1
SCHEMBL17447302 0.69 KLKB1 (0.67) KLKB1MAP4K1
SCHEMBL16881340 0.69 KLKB1 (0.82) KLKB1MAP4K1
SCHEMBL19354895 0.68 KLKB1 (0.48) KLKB1MAP4K1
SCHEMBL18458835 0.67 KLKB1 (0.58) KLKB1MAP4K1
SCHEMBL17442787 0.67 KLKB1 (1.00) KLKB1MAP4K1
SCHEMBL18369559 0.66 KLKB1 (1.00) KLKB1MAP4K1
SCHEMBL23279825 0.66 KLKB1 (0.69) KLKB1MAP4K1
SCHEMBL23269751 0.66 KLKB1 (0.56) KLKB1MAP4K1

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-20200031799-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-01-30 — — 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-20200031799-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 KLKB1 1/4885MAP4K1 249/4885

“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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