SCHEMBL4561042

SCHEMBL4561042

CNc1nc(Nc2cn(CC(F)(F)F)nc2C)ncc1Br

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MARK4 Q96L34 2/20 0.66
LRRK2 Q5S007 15/20 0.65
TBK1 Q9UHD2 4/20 0.65
IKBKE Q14164 3/20 0.65
ULK3 Q6PHR2 2/20 0.65
MKNK2 Q9HBH9 2/20 0.65
CSF1R P07333 2/20 0.65
STK17B O94768 1/20 0.65
AAK1 Q2M2I8 1/20 0.65
NUAK2 Q9H093 1/20 0.65
PI4KB Q9UBF8 1/20 0.65
CYP1A2 P05177 6/20 0.61
STK17A Q9UEE5 2/20 0.60
MYLK2 Q9H1R3 2/20 0.50
NIM1K Q8IY84 1/20 0.50
TTK P33981 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
SCHEMBL4562220 0.86 LRRK2 (0.81) LRRK2CYP1A2TTK
SCHEMBL10286422 0.86 LRRK2 (0.61) MARK4LRRK2TBK1IKBKEULK3
SCHEMBL4562366 0.86 LRRK2 (0.69) MARK4LRRK2TBK1IKBKEULK3
SCHEMBL21588927 0.85 LRRK2 (0.71) MARK4LRRK2TBK1IKBKEULK3
SCHEMBL4538634 0.84 LRRK2 (0.57) MARK4LRRK2TBK1IKBKEULK3
SCHEMBL4561626 0.84 LRRK2 (0.60) MARK4LRRK2TBK1IKBKEULK3
SCHEMBL4560552 0.80 LRRK2 (0.51) MARK4LRRK2TBK1IKBKEULK3
SCHEMBL29710773 0.79 TBK1 (1.00) MARK4LRRK2TBK1IKBKEULK3
SCHEMBL21588804 0.79 TBK1 (0.87) MARK4LRRK2TBK1IKBKEULK3
SCHEMBL21588805 0.79 TBK1 (1.00) MARK4LRRK2TBK1IKBKEULK3

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 27 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-9321722-B2 Bis-indolic derivatives, their uses in particular as antibacterials UNIVERSITE JOSEPH FOURIER (FR) 2016-04-26 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 MARK4 182/4885LRRK2 1/4885TBK1 130/4885

“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.