SCHEMBL14993530

SCHEMBL14993530

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

nearest known ligand 0.49

Predicted protein targets (top 19)

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
▸ RAB9A P51151 3/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ LMNA P02545 3/20 0.42
▸ LRRK2 Q5S007 2/20 0.40
▸ POLB P06746 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ PRKDC P78527 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ HTT P42858 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL14993799 0.94 MEN1 (0.49) MEN1KMT2ASIRT6TDP1RAB9A
SCHEMBL30242551 0.86 MEN1 (0.69) MEN1KMT2ASIRT6TDP1RAB9A
SCHEMBL2205991 0.86 MEN1 (0.69) MEN1KMT2ASIRT6TDP1RAB9A
SCHEMBL20214438 0.84 KMT2A (0.58) MEN1KMT2ASIRT6TDP1RAB9A
SCHEMBL11923833 0.81 MEN1 (0.70) MEN1KMT2AALDH1A1LRRK2MAPT
SCHEMBL2062118 0.79 KMT2A (0.58) MEN1KMT2ASIRT6TDP1RAB9A
SCHEMBL21610992 0.77 MEN1 (0.55) MEN1KMT2ATDP1LMNALRRK2
SCHEMBL14993936 0.77 SIRT6 (0.55) SIRT6TDP1RAB9AALDH1A1LMNA
SCHEMBL14993476 0.77 LRRK2 (0.42) ALDH1A1LMNALRRK2MAPTKDM4E
SCHEMBL25637679 0.76 TDP1 (0.38) MEN1KMT2ASIRT6TDP1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208934-A1 ULK1/2 INHIBITORS AND THEIR USE THEREOF LIFEARC (GB) 2024-06-27 — — US disclosed
EP-4320121-A2 2,4-DIAMINOPYRIMIDINE DERIVATIVES AS ULK1/2 INHIBITORS AND THEIR USE THEREOF LifeArc (GB) 2024-02-14 — — EP disclosed
CN-117545751-A 2, 4-diaminopyrimidine derivatives as ULK1/2 inhibitors and their use 生命爱科 2024-02-09 — — CN disclosed
WO-2022214869-A2 ULK1/2 INHIBITORS AND THEIR USE THEREOF LIFEARC (GB) 2022-10-13 — — WO disclosed
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 (2 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
US-20240208934-A1 ULK1/2 INHIBITORS AND THEIR USE THEREOF ULK1, ULK2, ULK3 MEN1 1726/4885KMT2A 2267/4885SIRT6 2096/4885

“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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