SCHEMBL15528102

SCHEMBL15528102

Cc1nn(C2CCOCC2F)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.45
MAPT P10636 4/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL16985306 0.81 MAPT (0.33) LRRK2MAPTALDH1A1CYP1A2CYP2C9
SCHEMBL26695891 0.80 LRRK2 (0.49) LRRK2
SCHEMBL15527900 0.79 LRRK2 (0.47) LRRK2
SCHEMBL26695882 0.79 BRAF (0.37)
SCHEMBL17027328 0.78 MAPT (0.39) LRRK2MAPTALDH1A1CYP1A2CYP2C9
SCHEMBL4561604 0.76 ALDH1A1 (0.35) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL25170911 0.76 LRRK2 (0.34) LRRK2MAPTALDH1A1CYP1A2CYP2C19
SCHEMBL25690755 0.76 LRRK2 (0.34) LRRK2MAPTALDH1A1CYP1A2CYP2C19
SCHEMBL25170910 0.76 LRRK2 (0.34) LRRK2MAPTALDH1A1CYP1A2CYP2C19
SCHEMBL16975384 0.75 L3MBTL1 (0.37) LRRK2ALDH1A1CYP1A2CYP2C9LMNA

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 5 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
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
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 LRRK2 1/4885MAPT 100/4885ALDH1A1 3846/4885

“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.