SCHEMBL24394271

SCHEMBL24394271

O=C(Nc1cc2cc(Br)c(Cl)cc2cn1)C1CC1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 17/20 0.64
JAK2 O60674 1/20 0.59
TYK2 P29597 1/20 0.59
MAP4K1 Q92918 1/20 0.55
LRRK2 Q5S007 1/20 0.53

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
SCHEMBL30424808 1.00 ABL1 (0.64) ABL1JAK2TYK2MAP4K1LRRK2
SCHEMBL31250286 0.95 ABL1 (0.57) ABL1JAK2TYK2MAP4K1LRRK2
SCHEMBL31250315 0.95 ABL1 (0.57) ABL1JAK2TYK2MAP4K1LRRK2
SCHEMBL31250303 0.91 GSK3B (0.57) ABL1JAK2TYK2LRRK2
SCHEMBL24394296 0.89 GSK3B (0.53) ABL1JAK2TYK2MAP4K1
SCHEMBL24394291 0.89 ABL1 (0.51) ABL1JAK2TYK2MAP4K1LRRK2
SCHEMBL24394275 0.89 ABL1 (0.51) ABL1JAK2TYK2MAP4K1LRRK2
SCHEMBL29567522 0.89 ABL1 (0.51) ABL1JAK2TYK2MAP4K1LRRK2
SCHEMBL24394277 0.86 ABL1 (0.48) ABL1JAK2TYK2MAP4K1LRRK2
SCHEMBL31250323 0.86 ABL1 (0.49) ABL1JAK2TYK2LRRK2

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 5 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
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 ABL1 215/4885JAK2 342/4885TYK2 18/4885

“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.