SCHEMBL7459206

SCHEMBL7459206

COc1c([N+](=O)[O-])ccc(C(=O)N2CCOCC2)c1F

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 2/20 0.52
GAA P10253 1/20 0.49
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MEN1 O00255 1/20 0.47
LRRK2 Q5S007 2/20 0.46
NPC1 O15118 2/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.44

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
SCHEMBL16982448 0.87 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1KDM4EGAAKMT2A
SCHEMBL4462435 0.83 KMT2A (0.61) SMN1; SMN2ALDH1A1KDM4EGAAKMT2A
SCHEMBL7454384 0.80 LRRK2 (0.49) ALDH1A1KDM4EKMT2AL3MBTL1LRRK2
SCHEMBL2028545 0.76 TSHR (0.47) KMT2AMEN1MAPT
SCHEMBL2378215 0.74 KMT2A (0.75) SMN1; SMN2ALDH1A1KDM4EGAAKMT2A
SCHEMBL12312156 0.73 ALDH1A1 (0.71) SMN1; SMN2ALDH1A1KDM4EGAAKMT2A
SCHEMBL29833145 0.73 ALDH1A1 (0.71) SMN1; SMN2ALDH1A1KDM4EGAAKMT2A
SCHEMBL4270753 0.73 SLC6A5 (0.62) SMN1; SMN2ALDH1A1KDM4EGAAKMT2A
SCHEMBL16406345 0.73 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL14994813 0.72 KDM4E (0.59) SMN1; SMN2ALDH1A1KDM4EGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3075730-B1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2018-10-24 EP disclosed
EP-2785699-B1 2-PHENYLAMINOPYRIMIDINE DERIVATIVES AS KINASE LRRK2 MODULATORS FOR THE TREATMENT OF PARKINSON'S DISEASE GENENTECH INC (US) 2017-09-06 EP disclosed
EP-3075730-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. Hoffmann-La Roche AG (CH) 2016-10-05 EP disclosed
EP-2576541-B1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS HOFFMANN LA ROCHE (CH) 2016-04-06 EP disclosed
EP-2785699-A1 2-PHENYLAMINOPYRIMIDINE DERIVATIVES AS KINASE LRRK2 MODULATORS FOR THE TREATMENT OF PARKINSON'S DISEASE F.HOFFMANN-LA ROCHE AG (CH) 2014-10-08 EP disclosed
US-8809331-B2 Aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-08-19 US disclosed
US-8802674-B2 Aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-08-12 US disclosed
US-20130157999-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH, INC. (US) 2013-06-20 US disclosed
WO-2013079494-A1 2-PHENYLAMINOPYRIMIDINE DERIVATIVES AS KINASE LRRK2 MODULATORS FOR THE TREATMENT OF PARKINSON'S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2013-06-06 WO disclosed
US-20130096102-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH, INC. (US) 2013-04-18 US disclosed
EP-2576541-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-04-10 EP disclosed
US-8354420-B2 Aminopyrimidine derivatives as LRRK2 inhibitors GENENTECH, INC. (US) 2013-01-15 US disclosed
US-20110301141-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 INHIBITORS GENENTECH, INC. (US) 2011-12-08 US disclosed
WO-2011151360-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-08 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 (3 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-20130096102-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS LRRK2, PARK7, P2RX6 SMN1; SMN2 212/4885ALDH1A1 2090/4885KDM4E 2542/4885
US-20130157999-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS LRRK2, PARK7, P2RX6 SMN1; SMN2 401/4885ALDH1A1 1987/4885KDM4E 2135/4885
US-20110301141-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 INHIBITORS LRRK2, PARK7, PKN2 SMN1; SMN2 211/4885ALDH1A1 1864/4885KDM4E 2684/4885

“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.