SCHEMBL20555643

SCHEMBL20555643

Cc1nn(C(C)(C)C#N)cc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 12/20 0.37
CYP1A2 P05177 1/20 0.37
TTK P33981 1/20 0.37
GRM6 O15303 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
POLB P06746 2/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
APEX1 P27695 1/20 0.32
BLM P54132 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL20555195 0.84 POLB (0.33) POLBMAPTALDH1A1TDP1
SCHEMBL31081873 0.81 GRM6 (0.31) GRM6GRIA1GRIA2GRIA3GRIA4
SCHEMBL20555201 0.78 ALDH1A1 (0.33) POLBMAPTALDH1A1TDP1
SCHEMBL24793186 0.77 LRRK2 (0.32) LRRK2
SCHEMBL20555353 0.76 GPR35 (0.38) POLBMAPTALDH1A1
SCHEMBL4559487 0.76 MAPT (0.39) POLBMAPTALDH1A1TDP1
SCHEMBL24752307 0.76 LRRK2 (0.35) LRRK2
SCHEMBL4561198 0.75 GPR35 (0.37) POLBMAPTALDH1A1
SCHEMBL15528397 0.75 ALDH1A1 (0.35) POLBMAPTALDH1A1
SCHEMBL20555297 0.75 LRRK2 (0.36) LRRK2POLBMAPTALDH1A1

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-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
CN-117425660-A Aromatic heterocyclic compound, intermediate thereof, pharmaceutical composition and application 上海翊石医药科技有限公司 2024-01-19 CN disclosed
WO-2023222005-A1 AROMATIC HETEROCYCLIC COMPOUND AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海翊石医药科技有限公司 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
US-20220119371-A1 COMPOUND, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2022-04-21 US disclosed
US-11214565-B2 Compound, compositions, and methods DENALI THERAPEUTICS INC. (US) 2022-01-04 US disclosed
US-20180327391-A1 COMPOUND, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. 2018-11-15 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-20180327391-A1 COMPOUND, COMPOSITIONS, AND METHODS LRRK2, PARK7, MAPT LRRK2 1/4885CYP1A2 3151/4885TTK 900/4885
US-20220119371-A1 COMPOUND, COMPOSITIONS, AND METHODS LRRK2, PARK7, SNCA LRRK2 1/4885CYP1A2 3146/4885TTK 929/4885
US-11214565-B2 Compound, compositions, and methods LRRK2, PARK7, MAPT LRRK2 1/4885CYP1A2 3151/4885TTK 900/4885
US-20250313575-A1 MACROCYCLES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF LRRK2, CLK2, PARK7 LRRK2 1/4885CYP1A2 3233/4885TTK 312/4885

“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.