SCHEMBL16619564

SCHEMBL16619564

CC(C)(C)OC(=O)N1CCCC(NCc2cc3c(Br)nn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3cc2[N+](=O)[O-])C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.42
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
ADA P00813 2/20 0.37
SCN9A Q15858 1/20 0.36
BTK Q06187 2/20 0.36
BCHE P06276 1/20 0.36
HTR6 P50406 1/20 0.36
ANO1 Q5XXA6 2/20 0.36
ACKR3 P25106 1/20 0.36
MAPK8 P45983 1/20 0.36
PBK Q96KB5 1/20 0.36
BRD4 O60885 2/20 0.35
PRKCQ Q04759 1/20 0.35
KDM1A O60341 1/20 0.35

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
SCHEMBL16619567 1.00 USP30 (0.42) USP30KDM4EMEN1ALDH1A1KMT2A
SCHEMBL16620048 0.91 ALDH1A1 (0.42) KDM4EMEN1ALDH1A1KMT2ABCHE
SCHEMBL16620008 0.88 USP30 (0.44) USP30ADASCN9ABCHEHTR6
SCHEMBL16620012 0.88 USP30 (0.44) USP30ADASCN9ABCHEHTR6
SCHEMBL16619566 0.81 PRMT5 (0.41) USP30BTKACKR3PRKCQ
SCHEMBL12073270 0.78 USP30 (0.60) USP30ADASCN9AANO1PBK
SCHEMBL9987374 0.78 USP30 (0.60) USP30ADASCN9AANO1PBK
SCHEMBL28572066 0.73 USP30 (0.50) USP30ALDH1A1SCN9A
SCHEMBL28572069 0.73 USP30 (0.50) USP30ALDH1A1SCN9A
SCHEMBL1199739 0.73 PARP1 (0.49) USP30KDM4EMAPK8BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190292194-A1 INHIBITORS OF ERK AND METHODS OF USE KURA ONCOLOGY, INC. 2019-09-26 US disclosed
US-10301317-B2 Inhibitors of ERK and methods of use KURA ONCOLOGY, INC. (US) 2019-05-28 US disclosed
EP-3363800-A1 HETEROCYCLIC INHIBITORS OF ERK AND METHODS OF USE Kura Oncology, Inc. (US) 2018-08-22 EP disclosed
US-9951078-B2 Inhibitors of ERK and methods of use KURA ONCOLOGY, INC. (US) 2018-04-24 US disclosed
EP-3052096-B1 INHIBITORS OF ERK AND METHODS OF USE KURA ONCOLOGY INC (US) 2018-01-17 EP disclosed
US-20170226110-A1 INHIBITORS OF ERK AND METHODS OF USE KURA ONCOLOGY, INC. 2017-08-10 US disclosed
US-9624228-B2 Inhibitors of ERK and methods of use KURA ONCOLOGY, INC. (US) 2017-04-18 US disclosed
US-20160237091-A1 INHIBITORS OF ERK AND METHODS OF USE KURA ONCOLOGY, INC. 2016-08-18 US disclosed
EP-3052096-A1 INHIBITORS OF ERK AND METHODS OF USE Kura Oncology, Inc. (US) 2016-08-10 EP disclosed
WO-2015051341-A1 INHIBITORS OF ERK AND METHODS OF USE ARAXES PHARMA LLC (US) 2015-04-09 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 (4 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-10301317-B2 Inhibitors of ERK and methods of use MAP3K1, MAP3K2, MAP3K6 USP30 1632/4885KDM4E 2463/4885MEN1 3387/4885
US-20170226110-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 USP30 1632/4885KDM4E 2463/4885MEN1 3387/4885
US-20190292194-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 USP30 1632/4885KDM4E 2463/4885MEN1 3387/4885
US-20160237091-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 USP30 1632/4885KDM4E 2463/4885MEN1 3387/4885

“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.