SCHEMBL20946112

SCHEMBL20946112

O=C(Nc1cc2cc(Br)ccc2cn1)C1CC1

nearest known ligand 0.89

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 15/20 0.89
GSK3B P49841 4/20 0.62
DYRK1A Q13627 4/20 0.62
JAK2 O60674 1/20 0.62
TYK2 P29597 1/20 0.62
WNT1 P04628 3/20 0.60

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
SCHEMBL30425762 1.00 ABL1 (0.89) ABL1GSK3BDYRK1AJAK2TYK2
SCHEMBL9938850 0.94 ABL1 (1.00) ABL1
SCHEMBL19516245 0.94 ABL1 (0.79) ABL1GSK3BDYRK1AJAK2TYK2
SCHEMBL19516243 0.94 ABL1 (0.79) ABL1GSK3BDYRK1AJAK2TYK2
SCHEMBL30005066 0.94 ABL1 (0.79) ABL1GSK3BDYRK1AJAK2TYK2
SCHEMBL19544273 0.94 ABL1 (0.79) ABL1GSK3BDYRK1AJAK2TYK2
SCHEMBL19516307 0.92 ABL1 (0.76) ABL1GSK3BDYRK1AJAK2TYK2
SCHEMBL30005555 0.92 ABL1 (0.76) ABL1GSK3BDYRK1AJAK2TYK2
SCHEMBL19516034 0.91 ABL1 (0.75) ABL1GSK3BDYRK1AJAK2TYK2
SCHEMBL19516228 0.91 ABL1 (0.75) ABL1GSK3BDYRK1AJAK2TYK2

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 8 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-20240398784-A1 C-LINKED ISOQUINOLINE AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-12-05 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
US-10653688-B2 6-(6-membered heteroaryl and aryl)isoquinolin-3-yl carboxamides and preparation and use thereof SAMUMED, LLC (US) 2020-05-19 US disclosed
US-20190125740-A1 6-(6-MEMBERED HETEROARYL & ARYL)ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2019-05-02 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 (4 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-20190125740-A1 6-(6-MEMBERED HETEROARYL & ARYL)ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF DYRK1A, DYRK2, DYRK3 ABL1 491/4885GSK3B 11/4885DYRK1A 1/4885
US-20230406844-A1 N-LINKED ISOQUINOLINE AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF LRRK2, BRSK2, CLK2 ABL1 215/4885GSK3B 229/4885DYRK1A 323/4885
US-20240398784-A1 C-LINKED ISOQUINOLINE AMIDES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF LRRK2, CLK2, BRSK2 ABL1 290/4885GSK3B 193/4885DYRK1A 530/4885
US-10653688-B2 6-(6-membered heteroaryl and aryl)isoquinolin-3-yl carboxamides and preparation and use thereof DYRK1A, DYRK3, DYRK2 ABL1 562/4885GSK3B 12/4885DYRK1A 1/4885

“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.