SCHEMBL29567494

SCHEMBL29567494

CC(C)(C)OC(=O)Nc1cc2cc(N3CCNCC3)c(Cl)cc2cn1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 9/20 0.49
GSK3B P49841 8/20 0.49
ABL1 P00519 2/20 0.44
LRRK2 Q5S007 7/20 0.43
HDAC3 O15379 1/20 0.39
KCNH2 Q12809 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
WNT1 P04628 6/20 0.38
F10 P00742 1/20 0.36

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
SCHEMBL24394349 1.00 DYRK1A (0.49) DYRK1AGSK3BABL1LRRK2HDAC3
SCHEMBL30424034 1.00 DYRK1A (0.49) DYRK1AGSK3BABL1LRRK2HDAC3
SCHEMBL24394332 0.84 ABL1 (0.48) DYRK1AGSK3BABL1LRRK2HDAC3
SCHEMBL29567857 0.82 ABL1 (0.66) DYRK1AGSK3BABL1LRRK2WNT1
SCHEMBL30424038 0.80 LRRK2 (0.55) DYRK1AGSK3BLRRK2KCNH2
SCHEMBL29567513 0.80 LRRK2 (0.55) DYRK1AGSK3BLRRK2KCNH2
SCHEMBL29567817 0.78 LRRK2 (0.58) DYRK1AGSK3BLRRK2KCNH2
SCHEMBL24394351 0.78 LRRK2 (0.58) DYRK1AGSK3BLRRK2KCNH2
SCHEMBL30424940 0.78 LRRK2 (0.58) DYRK1AGSK3BLRRK2KCNH2
SCHEMBL10288086 0.77 GSK3B (0.54) DYRK1AGSK3BABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12516039-B2 N-linked isoquinoline amides as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof MERCK SHARP & DOHME LLC (US) 2026-01-06 US disclosed
US-20230406844-A1 N-LINKED ISOQUINOLINE AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-12-21 US disclosed
EP-4236950-A1 N-LINKED ISOQUINOLINE AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Merck Sharp & Dohme LLC (US) 2023-09-06 EP disclosed
WO-2022093881-A1 N-LINKED ISOQUINOLINE AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2022-05-05 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-20230406844-A1 N-LINKED ISOQUINOLINE AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF LRRK2, BRSK2, CLK2 DYRK1A 323/4885GSK3B 229/4885ABL1 215/4885

“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.