SCHEMBL14993799

SCHEMBL14993799

COc1cc2c(cc1[N+](=O)[O-])CN(C)C2=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ SIRT6 Q8N6T7 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.45
▸ ALDH1A1 P00352 4/20 0.42
▸ LMNA P02545 1/20 0.42
▸ LRRK2 Q5S007 2/20 0.40
▸ RAB9A P51151 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ PRKDC P78527 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ CYP2D6 P10635 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NPC1 O15118 1/20 0.36

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
SCHEMBL14993530 0.94 MEN1 (0.49) MEN1KMT2ASIRT6TDP1ALDH1A1
SCHEMBL2062118 0.84 KMT2A (0.58) MEN1KMT2ASIRT6TDP1ALDH1A1
SCHEMBL11923833 0.81 MEN1 (0.70) MEN1KMT2AALDH1A1LRRK2CYP3A4
SCHEMBL30242551 0.81 MEN1 (0.69) MEN1KMT2ASIRT6TDP1ALDH1A1
SCHEMBL2205991 0.81 MEN1 (0.69) MEN1KMT2ASIRT6TDP1ALDH1A1
SCHEMBL14993476 0.79 LRRK2 (0.42) ALDH1A1LMNALRRK2KDM4ECYP3A4
SCHEMBL20214438 0.79 KMT2A (0.58) MEN1KMT2ASIRT6TDP1ALDH1A1
SCHEMBL14993936 0.77 SIRT6 (0.55) SIRT6TDP1ALDH1A1LMNARAB9A
SCHEMBL15339545 0.77 KMT2A (0.55) MEN1KMT2ATDP1ALDH1A1LMNA
SCHEMBL25637679 0.76 TDP1 (0.38) MEN1KMT2ASIRT6TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2785709-B1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2017-05-10 — — EP disclosed
EP-2785709-B1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2017-05-10 — — EP disclosed
EP-3121173-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-01-25 — — EP disclosed
EP-3121173-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-01-25 — — EP disclosed
EP-2785709-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2014-10-08 — — EP disclosed
US-8796296-B2 Aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-08-05 — — US disclosed
US-8796296-B2 Aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-08-05 — — US disclosed
US-8796296-B2 Aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-08-05 — — US disclosed
US-20130158006-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH, INC. (US) 2013-06-20 — — US disclosed
US-20130158006-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH, INC. (US) 2013-06-20 — — US disclosed
US-20130158006-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH, INC. (US) 2013-06-20 — — US disclosed
WO-2013079505-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-06-06 — — WO disclosed
WO-2013079505-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-06-06 — — 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-20130158006-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS LRRK2, PARK7, PINK1 MEN1 4534/4885KMT2A 1509/4885SIRT6 1065/4885

“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.

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