SCHEMBL4538573

SCHEMBL4538573

CNc1nc(Nc2cnn(-c3ccccc3)c2C)ncc1Br

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 9/20 0.48
IGF1R P08069 5/20 0.46
CDK19 Q9BWU1 3/20 0.45
ALK Q9UM73 3/20 0.45
CYP1A2 P05177 3/20 0.42
CDK1 P06493 2/20 0.41
CDK2 P24941 2/20 0.41
CCNB1 P14635 1/20 0.41
CCNE1 P24864 1/20 0.41
JAK2 O60674 1/20 0.40
MAPK8 P45983 1/20 0.40

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
SCHEMBL4542856 0.88 LRRK2 (0.46) LRRK2IGF1RCYP1A2CDK1JAK2
SCHEMBL4561636 0.88 LRRK2 (0.49) LRRK2IGF1RCDK19ALKCYP1A2
SCHEMBL10286427 0.86 LRRK2 (0.45) LRRK2CYP1A2JAK2
SCHEMBL5020911 0.84 LRRK2 (0.46) LRRK2CYP1A2JAK2
SCHEMBL4539029 0.83 LRRK2 (0.46) LRRK2CYP1A2CDK1
SCHEMBL4534690 0.80 LRRK2 (0.67) LRRK2IGF1RCDK19ALKCYP1A2
SCHEMBL4536503 0.78 LRRK2 (0.47) LRRK2IGF1RCDK19ALKCYP1A2
SCHEMBL4562344 0.76 LRRK2 (0.58) LRRK2CYP1A2
SCHEMBL4537572 0.75 LRRK2 (0.57) LRRK2CDK19ALKCYP1A2
SCHEMBL5021215 0.74 LRRK2 (0.46) 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 25 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
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
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 790/4885CDK19 1020/4885

“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.