SCHEMBL16620012

SCHEMBL16620012

CC(C)(C)OC(=O)N1CCC[C@@H](NCc2cc3c(Br)nn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3cc2N)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.44
ADA P00813 2/20 0.41
SCN9A Q15858 1/20 0.39
BRD4 O60885 2/20 0.38
HTR6 P50406 2/20 0.38
BCHE P06276 1/20 0.38
ANO1 Q5XXA6 2/20 0.38
ACKR3 P25106 1/20 0.38
PARP1 P09874 1/20 0.37
FPR3 P25089 1/20 0.37
FPR2 P25090 1/20 0.37
MAPK8 P45983 1/20 0.37
PBK Q96KB5 1/20 0.37
KDM1A O60341 1/20 0.36
GABRA5 P31644 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
SCHEMBL16620008 1.00 USP30 (0.44) USP30ADASCN9ABRD4HTR6
SCHEMBL16619564 0.88 USP30 (0.42) USP30ADASCN9ABRD4HTR6
SCHEMBL16619567 0.88 USP30 (0.42) USP30ADASCN9ABRD4HTR6
SCHEMBL16620010 0.80 PRMT5 (0.43) USP30ADAACKR3
SCHEMBL9987374 0.80 USP30 (0.60) USP30ADASCN9AANO1PARP1
SCHEMBL12073270 0.80 USP30 (0.60) USP30ADASCN9AANO1PARP1
SCHEMBL16620048 0.78 ALDH1A1 (0.42) BCHE
SCHEMBL28779687 0.74 USP30 (0.62) USP30HTR6BCHEACKR3KDM1A
SCHEMBL22222650 0.74 USP30 (0.62) USP30HTR6BCHEACKR3KDM1A
SCHEMBL1199739 0.74 PARP1 (0.49) USP30BRD4PARP1MAPK8

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 1632/4885ADA 4484/4885SCN9A 4727/4885
US-20170226110-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 USP30 1632/4885ADA 4484/4885SCN9A 4727/4885
US-20190292194-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 USP30 1632/4885ADA 4484/4885SCN9A 4727/4885
US-20160237091-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 USP30 1632/4885ADA 4484/4885SCN9A 4727/4885

“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.