SCHEMBL15528276

SCHEMBL15528276

Cc1nn(C(C)(C)c2ncccn2)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.39
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PAX8 Q06710 1/20 0.34
TDP1 Q9NUW8 3/20 0.33
ALDH1A1 P00352 2/20 0.33
PDE10A Q9Y233 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
BRD4 O60885 1/20 0.33
LMNA P02545 1/20 0.33
CTSB P07858 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
CHRM1 P11229 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
SCHEMBL20556048 0.82 LRRK2 (0.42) LRRK2ALDH1A1LMNAMAPTL3MBTL1
SCHEMBL20555363 0.81 ALDH1A1 (0.31) ALDH1A1
SCHEMBL20555219 0.79 LRRK2 (0.37) LRRK2PKMSMN1; SMN2MEN1KMT2A
SCHEMBL15528302 0.79 LRRK2 (0.43) LRRK2
SCHEMBL20555514 0.79 LRRK2 (0.36) LRRK2
SCHEMBL20555647 0.78 LRRK2 (0.36) LRRK2
SCHEMBL20555229 0.76 ALDH1A1 (0.31) ALDH1A1MAPTPOLB
SCHEMBL20555201 0.75 ALDH1A1 (0.33) PKMKMT2ATDP1ALDH1A1LMNA
SCHEMBL20555394 0.75 LRRK2 (0.40) LRRK2PKMMEN1KMT2AALDH1A1
SCHEMBL20555417 0.75 RAB9A (0.31) ALDH1A1MAPTRAB9APOLB

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 1/4885PKM 391/4885SMN1; SMN2 873/4885

“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.