SCHEMBL24737726

SCHEMBL24737726

COc1ccnc([C@H]2C[C@@H]2C(=O)Nc2cc(NCc3cn4cc(C5CC5)ccc4n3)ccn2)c1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 2/20 0.38
▸ KLKB1 P03952 11/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ METTL3 Q86U44 1/20 0.37
▸ MAP4K1 Q92918 4/20 0.36
▸ LRRK2 Q5S007 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
SCHEMBL29879409 1.00 ITK (0.38) ITKKLKB1TYK2METTL3MAP4K1
SCHEMBL24738305 0.91 ITK (0.39) ITKKLKB1METTL3MAP4K1LRRK2
SCHEMBL29136863 0.88 KLKB1 (0.41) KLKB1TYK2METTL3
SCHEMBL24737729 0.88 KLKB1 (0.41) KLKB1TYK2METTL3
SCHEMBL29137049 0.88 KLKB1 (0.41) KLKB1TYK2METTL3
SCHEMBL29879527 0.88 KLKB1 (0.41) KLKB1TYK2METTL3
SCHEMBL29136864 0.88 KLKB1 (0.41) KLKB1TYK2METTL3
SCHEMBL29879879 0.88 KLKB1 (0.41) KLKB1TYK2METTL3
SCHEMBL24738300 0.87 ITK (0.38) ITKKLKB1TYK2METTL3MAP4K1
SCHEMBL29879206 0.85 KLKB1 (0.38) KLKB1TYK2METTL3

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-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
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 ITK 1724/4885KLKB1 1/4885TYK2 1836/4885

“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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