SCHEMBL24738301

SCHEMBL24738301

CN(C)c1ccc2nc(CNc3cc(NC(=O)[C@H]4C[C@@H]4c4cccc(Cl)c4)ncn3)cn2c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 5/20 0.39
▸ MAP4K1 Q92918 4/20 0.37
▸ ABL1 P00519 2/20 0.37
▸ TRPM5 Q9NZQ8 4/20 0.36
▸ IKBKB O14920 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ LMNA P02545 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
SCHEMBL29879831 1.00 LRRK2 (0.39) LRRK2MAP4K1ABL1TRPM5IKBKB
SCHEMBL29136745 0.90 KDM4E (0.42) LRRK2MAP4K1TRPM5LMNA
SCHEMBL29136748 0.90 KDM4E (0.42) LRRK2MAP4K1TRPM5LMNA
SCHEMBL24738299 0.90 KDM4E (0.42) LRRK2MAP4K1TRPM5LMNA
SCHEMBL29136885 0.88 LRRK2 (0.39) LRRK2MAP4K1ABL1TRPM5LMNA
SCHEMBL24738275 0.88 LRRK2 (0.39) LRRK2MAP4K1ABL1TRPM5LMNA
SCHEMBL29136884 0.88 LRRK2 (0.39) LRRK2MAP4K1ABL1TRPM5LMNA
SCHEMBL29136881 0.87 KLKB1 (0.42) LRRK2
SCHEMBL29879679 0.87 KLKB1 (0.42) LRRK2
SCHEMBL29136883 0.87 KLKB1 (0.42) LRRK2

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 LRRK2 1555/4885MAP4K1 639/4885ABL1 1574/4885

“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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