SCHEMBL20689124

SCHEMBL20689124

Cc1nn(C2CC2)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.42
DRD2 P14416 2/20 0.37
DRD4 P21917 2/20 0.37
DRD3 P35462 2/20 0.37
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
PDE4D Q08499 2/20 0.31
LRRK2 Q5S007 1/20 0.31

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
SCHEMBL31696487 0.92 KDM5A (0.41) KDM5ADRD2DRD4DRD3GABRA1
SCHEMBL25067443 0.87 LRRK2 (0.41) KDM5ADRD2DRD4DRD3LRRK2
SCHEMBL29434939 0.81 KDM5A (0.53) KDM5ADRD2DRD4DRD3LRRK2
SCHEMBL21258472 0.78 DRD2 (0.39) DRD2DRD4DRD3GABRA1GABRB2
SCHEMBL25710996 0.77 KDM5A (0.40) KDM5ADRD2DRD4DRD3
SCHEMBL28785706 0.75 KDM5A (0.43) KDM5ADRD2DRD4DRD3LRRK2
SCHEMBL21863534 0.75 DRD2 (0.37) DRD2DRD4DRD3GABRA1GABRB2
SCHEMBL25356330 0.75 DRD2 (0.37) DRD2DRD4DRD3GABRA1GABRB2
SCHEMBL25111998 0.75 AADAT (0.31)
SCHEMBL28805111 0.75 DRD2 (0.37) DRD2DRD4DRD3GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250313575-A1 MACROCYCLES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2025-10-09 US disclosed
EP-4525875-A1 MACROCYCLES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Merck Sharp & Dohme LLC (US) 2025-03-26 EP disclosed
WO-2023224894-A9 MACROCYCLES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-10-17 WO disclosed
WO-2023224894-A1 MACROCYCLES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-11-23 WO disclosed
WO-2023224894-A1 MACROCYCLES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-11-23 WO disclosed
WO-2023122778-A1 PYRIDAZINONE DERIVATIVES USEFUL AS T CELL ACTIVATORS GOSSAMER BIO SERVICES, INC. (US) 2023-06-29 WO disclosed
WO-2019023468-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2019-01-31 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-20250313575-A1 MACROCYCLES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF LRRK2, CLK2, PARK7 KDM5A 3715/4885DRD2 1550/4885DRD4 3426/4885

“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.