SCHEMBL4538630

SCHEMBL4538630

Cc1nn(C(C)(C)C#N)cc1Nc1ncc(C(F)(F)F)c(NC2CC2)n1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 19/20 0.76
CYP1A2 P05177 1/20 0.76
TTK P33981 1/20 0.76
ULK1 O75385 1/20 0.53

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
SCHEMBL9275400 0.90 LRRK2 (0.61) LRRK2CYP1A2TTKULK1
SCHEMBL24147264 0.89 LRRK2 (0.60) LRRK2CYP1A2TTK
SCHEMBL24147251 0.89 LRRK2 (0.60) LRRK2CYP1A2TTK
SCHEMBL24146928 0.89 LRRK2 (0.60) LRRK2CYP1A2TTK
SCHEMBL19729832 0.89 LRRK2 (0.74) LRRK2CYP1A2TTK
SCHEMBL19729802 0.89 LRRK2 (0.74) LRRK2CYP1A2TTK
SCHEMBL19729827 0.89 LRRK2 (0.74) LRRK2CYP1A2TTK
SCHEMBL5021481 0.88 LRRK2 (0.59) LRRK2CYP1A2TTKULK1
Dnl-201 SCHEMBL4561063 0.87 LRRK2 (1.00) LRRK2CYP1A2TTK
SCHEMBL19729851 0.86 LRRK2 (0.78) LRRK2CYP1A2TTK

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 39 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-3124483-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2019-07-10 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
EP-2638031-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-09-18 EP claimed
WO-2012062783-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-18 WO claimed
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
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-8815882-B2 Pyrazole aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-08-26 US disclosed
US-20140228384-A1 ASSAYS AND BIOMARKERS FOR LRRK2 GENENTECH INC (US) 2014-08-14 US disclosed
EP-2638031-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-09-18 EP 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-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 (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-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-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS LRRK2, PARK7, PINK1 LRRK2 1/4885CYP1A2 3177/4885TTK 2320/4885

“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.