SCHEMBL4560706

SCHEMBL4560706

CCNc1nc(Nc2cnn(-c3ccc(C(=O)N(C)C)cc3)c2C)ncc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 11/20 0.52
PTK2 Q05397 8/20 0.50
CYP1A2 P05177 1/20 0.48
AURKA O14965 1/20 0.47
EGFR P00533 1/20 0.47
NTRK1 P04629 1/20 0.47
CDK1 P06493 1/20 0.47
IGF1R P08069 1/20 0.47
KIT P10721 1/20 0.47
EPHA1 P21709 1/20 0.47
CDK2 P24941 1/20 0.47
FLT3 P36888 1/20 0.47
BMX P51813 1/20 0.47
JAK3 P52333 1/20 0.47
CDK6 Q00534 1/20 0.47
PAK1 Q13153 1/20 0.47
ALK Q9UM73 1/20 0.47

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
SCHEMBL4561693 0.90 LRRK2 (0.58) LRRK2CYP1A2
SCHEMBL5020925 0.84 LRRK2 (0.56) LRRK2CYP1A2
SCHEMBL4539271 0.83 LRRK2 (0.55) LRRK2PTK2CYP1A2
SCHEMBL4560926 0.83 LRRK2 (0.54) LRRK2PTK2CYP1A2
SCHEMBL4559059 0.83 LRRK2 (0.61) LRRK2CYP1A2
SCHEMBL18455139 0.81 LRRK2 (0.53) LRRK2CYP1A2
SCHEMBL4559423 0.80 LRRK2 (0.54) LRRK2CYP1A2
SCHEMBL4560711 0.76 LRRK2 (0.76) LRRK2CYP1A2
SCHEMBL4537111 0.74 LRRK2 (0.57) LRRK2CYP1A2
SCHEMBL4542755 0.73 LRRK2 (0.52) LRRK2

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 24 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-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
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
EP-2638031-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-09-18 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 1/4885PTK2 853/4885CYP1A2 3177/4885

“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.