SCHEMBL15528447

SCHEMBL15528447

COC(=O)CC(C)(C)n1cc([N+](=O)[O-])c(C)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
PDGFRB P09619 1/20 0.37
FGFR1 P11362 1/20 0.37
PDGFRA P16234 1/20 0.37
FLT1 P17948 1/20 0.37
FGFR3 P22607 1/20 0.37
KDR P35968 1/20 0.37
NPSR1 Q6W5P4 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 2/20 0.34
TXNRD1 Q16881 1/20 0.34
GSTP1 P09211 1/20 0.33
GSTM2 P28161 1/20 0.33

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
SCHEMBL15528217 0.85 L3MBTL1 (0.40) ALDH1A1L3MBTL1POLBMAPT
SCHEMBL15528316 0.84 L3MBTL1 (0.34) ALDH1A1GAANPSR1L3MBTL1POLB
SCHEMBL20555074 0.81 NPSR1 (0.44) ALDH1A1GAANPSR1L3MBTL1POLB
SCHEMBL20555297 0.80 LRRK2 (0.36) ALDH1A1GAANPSR1L3MBTL1POLB
SCHEMBL4559487 0.76 MAPT (0.39) ALDH1A1L3MBTL1POLBMAPTLMNA
SCHEMBL20555353 0.76 GPR35 (0.38) ALDH1A1GAAL3MBTL1POLBMAPT
SCHEMBL15528135 0.75 MITF (0.40) ALDH1A1GAANPSR1L3MBTL1POLB
SCHEMBL4561198 0.75 GPR35 (0.37) ALDH1A1L3MBTL1POLBMAPT
SCHEMBL15528397 0.75 ALDH1A1 (0.35) ALDH1A1L3MBTL1POLBMAPTLMNA
SCHEMBL20555048 0.74 L3MBTL1 (0.35) ALDH1A1L3MBTL1POLBMAPTHTT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2844652-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2019-03-13 EP disclosed
CN-106220615-A Pyrazoles aminopyridine derivative as LRRK2 regulator 霍夫曼-拉罗奇有限公司 2016-12-14 CN disclosed
CN-104271569-B Pyrazolylaminopyrimidine derivatives as LRRK2 modulators 霍夫曼-拉罗奇有限公司 2016-08-24 CN disclosed
US-9212173-B2 Pyrazole aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2015-12-15 US disclosed
US-9212173-B2 Pyrazole aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2015-12-15 US disclosed
US-9212173-B2 Pyrazole aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2015-12-15 US disclosed
EP-2844652-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. Hoffmann-La Roche AG (CH) 2015-03-11 EP disclosed
US-20150051238-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH, INC. (CA) 2015-02-19 US disclosed
US-20150051238-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH, INC. (CA) 2015-02-19 US disclosed
US-20150051238-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH, INC. (CA) 2015-02-19 US disclosed
WO-2013164321-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-11-07 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-20150051238-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS LRRK2, PARK7, PINK1 ALDH1A1 3846/4885GAA 2084/4885PDGFRB 808/4885

“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.