SCHEMBL15528217

SCHEMBL15528217

Cc1nn(C(C)(C)CC(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.40
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
POLB P06746 3/20 0.34
ATM Q13315 1/20 0.32
TSHR P16473 3/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL15528316 0.87 L3MBTL1 (0.34) L3MBTL1ALDH1A1MAPTPOLB
SCHEMBL15528447 0.85 ALDH1A1 (0.39) L3MBTL1ALDH1A1MAPTPOLB
SCHEMBL20555297 0.84 LRRK2 (0.36) L3MBTL1ALDH1A1MAPTPOLBTSHR
SCHEMBL4559487 0.82 MAPT (0.39) L3MBTL1ALDH1A1MAPTPOLBTSHR
SCHEMBL20555353 0.79 GPR35 (0.38) L3MBTL1ALDH1A1MAPTPOLB
SCHEMBL4561198 0.78 GPR35 (0.37) L3MBTL1ALDH1A1MAPTPOLB
SCHEMBL15528397 0.78 ALDH1A1 (0.35) L3MBTL1ALDH1A1MAPTPOLBTSHR
SCHEMBL20555048 0.77 L3MBTL1 (0.35) L3MBTL1ALDH1A1MAPTPOLB
SCHEMBL15528413 0.77 GPR35 (0.36) L3MBTL1ALDH1A1MAPTPOLB
SCHEMBL27993211 0.76 L3MBTL1 (0.34) L3MBTL1ALDH1A1MAPTPOLBTSHR

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 12 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
CN-104271569-A Pyrazolylaminopyrimidine derivatives as LRRK2 modulators HOFFMANN LA ROCHE 2015-01-07 CN 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 L3MBTL1 828/4885ALDH1A1 3846/4885MAPT 100/4885

“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.