SCHEMBL19729985

SCHEMBL19729985

CNc1nc(Nc2cn([C@@]3(C)CCOC3=O)nc2C)ncc1C(F)(F)F

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 20/20 0.78
CYP1A2 P05177 6/20 0.59
TTK P33981 1/20 0.54

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
SCHEMBL19729987 1.00 LRRK2 (0.78) LRRK2CYP1A2TTK
SCHEMBL19729876 1.00 LRRK2 (0.78) LRRK2CYP1A2TTK
SCHEMBL19729865 0.90 LRRK2 (0.79) LRRK2CYP1A2
SCHEMBL19729977 0.90 LRRK2 (0.79) LRRK2CYP1A2
SCHEMBL19729995 0.90 LRRK2 (0.79) LRRK2CYP1A2
SCHEMBL19729976 0.90 LRRK2 (0.77) LRRK2CYP1A2
SCHEMBL19729862 0.90 LRRK2 (0.77) LRRK2CYP1A2
SCHEMBL19729986 0.90 LRRK2 (0.77) LRRK2CYP1A2
SCHEMBL19716123 0.88 LRRK2 (1.00) LRRK2CYP1A2
SCHEMBL19716105 0.88 LRRK2 (1.00) LRRK2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834439-B2 Compounds, compositions, and methods DENALI THERAPEUTICS INC. (US) 2023-12-05 US disclosed
US-11834439-B2 Compounds, compositions, and methods DENALI THERAPEUTICS INC. (US) 2023-12-05 US disclosed
US-20230227436-A1 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2023-07-20 US disclosed
US-20230227436-A1 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2023-07-20 US disclosed
US-11591316-B2 Compounds, compositions, and methods DENALI THERAPEUTICS INC. (US) 2023-02-28 US disclosed
US-20220135546-A1 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2022-05-05 US disclosed
EP-3472153-B1 PYRIMIDIN-2-YLAMINO-1H-PYRAZOLS AS LRRK2 INHIBITORS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS DENALI THERAPEUTICS INC (US) 2021-09-22 EP disclosed
US-11111235-B2 Compounds, compositions, and methods DENALI THERAPEUTICS INC. (US) 2021-09-07 US disclosed
US-20210002260-A1 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2021-01-07 US disclosed
US-20180208582-A1 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2018-07-26 US disclosed
US-20180208582-A1 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2018-07-26 US disclosed
US-9932325-B2 Compounds, compositions, and methods DENALI THERAPEUTICS INC. (US) 2018-04-03 US disclosed
US-9932325-B2 Compounds, compositions, and methods DENALI THERAPEUTICS INC. (US) 2018-04-03 US disclosed
US-20180051009-A1 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. 2018-02-22 US disclosed
US-20180051009-A1 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. 2018-02-22 US disclosed
WO-2017218843-A1 PYRIMIDIN-2-YLAMINO-1H-PYRAZOLS AS LRRK2 INHIBITORS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS DENALI THERAPEUTICS INC. (US) 2017-12-21 WO disclosed
US-20170362206-A1 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2017-12-21 US disclosed
US-20170362206-A1 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2017-12-21 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 (9 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-20170362206-A1 COMPOUNDS, COMPOSITIONS, AND METHODS LRRK2, SNCA, PARK7 LRRK2 1/4885CYP1A2 4419/4885TTK 117/4885
US-20180208582-A1 COMPOUNDS, COMPOSITIONS, AND METHODS LRRK2, SNCA, PARK7 LRRK2 1/4885CYP1A2 4419/4885TTK 117/4885
US-20210002260-A1 COMPOUNDS, COMPOSITIONS, AND METHODS LRRK2, SNCA, PARK7 LRRK2 1/4885CYP1A2 4419/4885TTK 117/4885
US-20230227436-A1 COMPOUNDS, COMPOSITIONS, AND METHODS LRRK2, SNCA, PARK7 LRRK2 1/4885CYP1A2 4419/4885TTK 117/4885
US-11591316-B2 Compounds, compositions, and methods LRRK2, SNCA, PARK7 LRRK2 1/4885CYP1A2 4419/4885TTK 117/4885
US-11834439-B2 Compounds, compositions, and methods LRRK2, SNCA, PARK7 LRRK2 1/4885CYP1A2 4419/4885TTK 117/4885
US-20220135546-A1 COMPOUNDS, COMPOSITIONS, AND METHODS LRRK2, SNCA, PARK7 LRRK2 1/4885CYP1A2 4419/4885TTK 117/4885
US-20180051009-A1 COMPOUNDS, COMPOSITIONS, AND METHODS LRRK2, SNCA, PARK7 LRRK2 1/4885CYP1A2 4419/4885TTK 117/4885
US-11111235-B2 Compounds, compositions, and methods LRRK2, SNCA, PARK7 LRRK2 1/4885CYP1A2 4419/4885TTK 117/4885

“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.