SCHEMBL27033643

SCHEMBL27033643

CCc1ccc2nc(COc3ccnc(NCc4c(C)cc(N)nc4C)c3)cn2c1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 19/20 0.40
▸ MAP4K1 Q92918 3/20 0.35
▸ NOS3 P29474 1/20 0.35
▸ NOS1 P29475 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
SCHEMBL29958491 1.00 KLKB1 (0.40) KLKB1MAP4K1NOS3NOS1
SCHEMBL29958412 0.86 KLKB1 (0.36) KLKB1MAP4K1
SCHEMBL27033615 0.86 KLKB1 (0.36) KLKB1MAP4K1
SCHEMBL27033979 0.72 KLKB1 (0.36) KLKB1MAP4K1
SCHEMBL29957930 0.72 KLKB1 (0.36) KLKB1MAP4K1
SCHEMBL27033770 0.69 KLKB1 (0.35) KLKB1
SCHEMBL29958167 0.69 KLKB1 (0.40) KLKB1MAP4K1
SCHEMBL29141803 0.68 CLK4 (0.40) —
SCHEMBL17221215 0.68 KLKB1 (0.45) KLKB1MAP4K1
SCHEMBL17221443 0.65 KLKB1 (0.55) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240382482-A1 PLASMA KALLIKREIN INHIBITORS TAKEDA PHARMACEUTICALS CO (JP) 2024-11-21 — — US disclosed
EP-4308228-A1 PLASMA KALLIKREIN INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2024-01-24 — — EP disclosed
CN-117396474-A Plasma kallikrein inhibitors 武田药品工业株式会社 2024-01-12 — — CN 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-20240382482-A1 PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 KLKB1 1/4885MAP4K1 330/4885NOS3 1277/4885

“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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