SCHEMBL15528397

SCHEMBL15528397

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

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 4/20 0.33
MAPT P10636 4/20 0.33
GPR35 Q9HC97 2/20 0.33
KMT2A Q03164 1/20 0.33
PKM P14618 1/20 0.33
LMNA P02545 2/20 0.32
THRB P10828 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 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
SCHEMBL20555297 0.88 LRRK2 (0.36) ALDH1A1L3MBTL1POLBMAPTGPR35
SCHEMBL25173938 0.83 L3MBTL1 (0.36) ALDH1A1L3MBTL1POLBMAPTGPR35
SCHEMBL20555353 0.83 GPR35 (0.38) ALDH1A1L3MBTL1POLBMAPTGPR35
SCHEMBL15528516 0.80 LMNA (0.36) ALDH1A1MAPTPKMLMNATHRB
SCHEMBL4559487 0.79 MAPT (0.39) ALDH1A1L3MBTL1POLBMAPTGPR35
SCHEMBL15528514 0.78 MCOLN3 (0.34) ALDH1A1L3MBTL1POLBMAPTKMT2A
SCHEMBL15528517 0.78 MCOLN3 (0.34) ALDH1A1L3MBTL1POLBMAPTKMT2A
SCHEMBL4561198 0.78 GPR35 (0.37) ALDH1A1L3MBTL1POLBMAPTGPR35
SCHEMBL20555048 0.78 L3MBTL1 (0.35) ALDH1A1L3MBTL1POLBMAPTGPR35
SCHEMBL15528217 0.78 L3MBTL1 (0.40) ALDH1A1L3MBTL1POLBMAPTTSHR

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 ALDH1A1 3846/4885L3MBTL1 828/4885POLB 2853/4885

“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.