SCHEMBL5020951

SCHEMBL5020951

CNc1nc(Nc2cnn(C3CCOCC3)c2Cl)ncc1C(F)(F)F

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 20/20 0.80
CYP1A2 P05177 2/20 0.66

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
SCHEMBL4564821 0.93 LRRK2 (0.73) LRRK2CYP1A2
SCHEMBL4561209 0.90 LRRK2 (0.79) LRRK2CYP1A2
SCHEMBL5021352 0.89 LRRK2 (1.00) LRRK2CYP1A2
SCHEMBL19729811 0.86 LRRK2 (0.64) LRRK2CYP1A2
SCHEMBL5021023 0.84 LRRK2 (0.62) LRRK2CYP1A2
SCHEMBL24400101 0.83 LRRK2 (0.62) LRRK2CYP1A2
SCHEMBL4559418 0.83 LRRK2 (0.89) LRRK2CYP1A2
SCHEMBL19729804 0.83 LRRK2 (0.65) LRRK2CYP1A2
SCHEMBL20414129 0.83 LRRK2 (0.65) LRRK2CYP1A2
SCHEMBL19733840 0.83 LRRK2 (0.65) 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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2638031-B9 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2020-01-08 EP claimed
EP-2638031-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2017-10-11 EP claimed
EP-3124483-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-02-01 EP claimed
US-8815882-B2 Pyrazole aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-08-26 US claimed
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-11591316-B2 Compounds, compositions, and methods DENALI THERAPEUTICS INC. (US) 2023-02-28 US disclosed
EP-3998261-A1 PYRIMIDIN-2-YLAMINO-1H-PYRAZOLS AS LRRK2 INHIBITORS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS Denali Therapeutics Inc. (US) 2022-05-18 EP 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-20140228384-A1 ASSAYS AND BIOMARKERS FOR LRRK2 GENENTECH INC (US) 2014-08-14 US disclosed
EP-2646819-A1 ASSAYS AND BIOMARKERS FOR LRRK2 Genentech, Inc. (US) 2013-10-09 EP disclosed
WO-2012075046-A9 ASSAYS AND BIOMARKERS FOR LRRK2 GENENTECH, INC. (US) 2012-09-13 WO disclosed
US-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 US disclosed
US-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 US disclosed
US-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 US disclosed
WO-2012075046-A1 ASSAYS AND BIOMARKERS FOR LRRK2 GENENTECH, INC. (US) 2012-06-07 WO disclosed
WO-2012062783-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-18 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 (7 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-20210002260-A1 COMPOUNDS, COMPOSITIONS, AND METHODS LRRK2, SNCA, PARK7 LRRK2 1/4885CYP1A2 4419/4885
US-20230227436-A1 COMPOUNDS, COMPOSITIONS, AND METHODS LRRK2, SNCA, PARK7 LRRK2 1/4885CYP1A2 4419/4885
US-11591316-B2 Compounds, compositions, and methods LRRK2, SNCA, PARK7 LRRK2 1/4885CYP1A2 4419/4885
US-11834439-B2 Compounds, compositions, and methods LRRK2, SNCA, PARK7 LRRK2 1/4885CYP1A2 4419/4885
US-20220135546-A1 COMPOUNDS, COMPOSITIONS, AND METHODS LRRK2, SNCA, PARK7 LRRK2 1/4885CYP1A2 4419/4885
US-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS LRRK2, PARK7, PINK1 LRRK2 1/4885CYP1A2 3177/4885
US-11111235-B2 Compounds, compositions, and methods LRRK2, SNCA, PARK7 LRRK2 1/4885CYP1A2 4419/4885

“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.