SCHEMBL24739153

SCHEMBL24739153

COc1ccc(COc2nc(NCc3cn4cc(C5CC5)ccc4n3)cc(NC(=O)[C@H]3C[C@@H]3c3cccc(Cl)c3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 12/20 0.39
▸ ITK Q08881 2/20 0.36
▸ DGAT1 O75907 1/20 0.35
▸ TRPM5 Q9NZQ8 1/20 0.35

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
SCHEMBL29880029 0.92 KLKB1 (0.39) KLKB1ITKDGAT1TRPM5
SCHEMBL29302937 0.92 KLKB1 (0.39) KLKB1ITKDGAT1TRPM5
SCHEMBL29879770 0.90 KLKB1 (0.41) KLKB1DGAT1TRPM5
SCHEMBL24739924 0.90 KLKB1 (0.41) KLKB1DGAT1TRPM5
SCHEMBL24738302 0.87 F10 (0.34) —
SCHEMBL29305133 0.86 KLKB1 (0.42) KLKB1DGAT1
SCHEMBL29880163 0.86 KLKB1 (0.42) KLKB1DGAT1
SCHEMBL29879497 0.85 KLKB1 (0.41) KLKB1DGAT1
SCHEMBL29302884 0.85 KLKB1 (0.41) KLKB1DGAT1
SCHEMBL24737576 0.84 KLKB1 (0.40) KLKB1DGAT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 — — US disclosed
WO-2022197758-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 — — WO 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-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 KLKB1 1/4885ITK 1724/4885DGAT1 986/4885

“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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