SCHEMBL5021144

SCHEMBL5021144

COc1nc(Nc2cn(C3CCOCC3)nc2C)ncc1Cl

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 17/20 0.59
IGF1R P08069 2/20 0.47
CDK2 P24941 2/20 0.47
KCNH2 Q12809 2/20 0.47
MAP3K7 O43318 1/20 0.44
MAPK1 P28482 1/20 0.44
MAP2K1 Q02750 1/20 0.44

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
SCHEMBL5021138 0.91 LRRK2 (0.52) LRRK2IGF1RCDK2KCNH2
SCHEMBL5021170 0.83 LRRK2 (0.54) LRRK2IGF1RCDK2KCNH2
SCHEMBL5021355 0.81 LRRK2 (0.58) LRRK2IGF1RCDK2KCNH2
SCHEMBL4532653 0.81 LRRK2 (0.50) LRRK2MAPK1
SCHEMBL4534833 0.80 LRRK2 (0.51) LRRK2IGF1RCDK2KCNH2
SCHEMBL5021174 0.79 LRRK2 (0.58) LRRK2KCNH2
SCHEMBL9930161 0.79 LRRK2 (0.47) LRRK2IGF1RCDK2KCNH2
SCHEMBL4534477 0.79 LRRK2 (0.49) LRRK2
SCHEMBL28442602 0.78 LRRK2 (0.61) LRRK2IGF1RCDK2KCNH2
SCHEMBL18449287 0.78 LRRK2 (0.44) LRRK2IGF1RCDK2KCNH2

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 21 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
EP-2638031-B9 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2020-01-08 EP disclosed
EP-2638031-B9 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2020-01-08 EP disclosed
EP-2638031-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2017-10-11 EP disclosed
EP-2638031-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2017-10-11 EP disclosed
EP-3124483-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-02-01 EP disclosed
EP-3124483-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-02-01 EP disclosed
US-8815882-B2 Pyrazole aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-08-26 US 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-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 (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-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS LRRK2, PARK7, PINK1 LRRK2 1/4885IGF1R 790/4885CDK2 230/4885

“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.