SCHEMBL29302923

SCHEMBL29302923

O=C(Nc1cc(NCc2cn3cc(C4CC4)ccc3n2)ccn1)[C@H]1C[C@@H]1c1cc(Cl)ncn1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 14/20 0.38
▸ TYK2 P29597 4/20 0.37
▸ METTL3 Q86U44 1/20 0.37
▸ ACVRL1 P37023 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
SCHEMBL29879206 1.00 KLKB1 (0.38) KLKB1TYK2METTL3ACVRL1
SCHEMBL29137049 0.91 KLKB1 (0.41) KLKB1TYK2METTL3ACVRL1
SCHEMBL29879879 0.91 KLKB1 (0.41) KLKB1TYK2METTL3ACVRL1
SCHEMBL29136863 0.91 KLKB1 (0.41) KLKB1TYK2METTL3ACVRL1
SCHEMBL29879527 0.91 KLKB1 (0.41) KLKB1TYK2METTL3ACVRL1
SCHEMBL24737729 0.91 KLKB1 (0.41) KLKB1TYK2METTL3ACVRL1
SCHEMBL29136864 0.91 KLKB1 (0.41) KLKB1TYK2METTL3ACVRL1
SCHEMBL29880087 0.91 KLKB1 (0.39) KLKB1METTL3
SCHEMBL24738340 0.91 KLKB1 (0.39) KLKB1METTL3
SCHEMBL24738308 0.90 KLKB1 (0.39) KLKB1TYK2METTL3ACVRL1

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
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 — — 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-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 KLKB1 1/4885TYK2 1836/4885METTL3 4596/4885

“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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