SCHEMBL16620048

SCHEMBL16620048

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
SIGMAR1 Q99720 2/20 0.34
TEAD1 P28347 2/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
PIK3CD O00329 1/20 0.30
GRIN2B Q13224 1/20 0.30
MAPT P10636 1/20 0.30
POLB P06746 1/20 0.30
MAPK1 P28482 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL16619564 0.91 USP30 (0.42) ALDH1A1KMT2AKDM4EMEN1BCHE
SCHEMBL16619567 0.91 USP30 (0.42) ALDH1A1KMT2AKDM4EMEN1BCHE
SCHEMBL16620046 0.79 LMNA (0.37) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL16620008 0.78 USP30 (0.44) BCHE
SCHEMBL16620569 0.75 CYP19A1 (0.32) ALDH1A1KMT2AMEN1MAPT
SCHEMBL29584493 0.75 CYP19A1 (0.32) ALDH1A1KMT2AMEN1MAPT
SCHEMBL14859367 0.75 USP30 (0.44)
SCHEMBL14860166 0.75 USP30 (0.44)
SCHEMBL16620119 0.75 SIGMAR1 (0.34) ALDH1A1KMT2AMEN1SIGMAR1BCHE
SCHEMBL16620027 0.74 CTSB (0.33) KMT2AMEN1MAPT

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 11 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
US-20180237444-A1 INHIBITORS OF ERK AND METHODS OF USE KURA ONCOLOGY, INC. 2018-08-23 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 (5 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 ALDH1A1 2763/4885KMT2A 2749/4885KDM4E 2463/4885
US-20170226110-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 ALDH1A1 2763/4885KMT2A 2749/4885KDM4E 2463/4885
US-20180237444-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 ALDH1A1 2763/4885KMT2A 2749/4885KDM4E 2463/4885
US-20190292194-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 ALDH1A1 2763/4885KMT2A 2749/4885KDM4E 2463/4885
US-20160237091-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 ALDH1A1 2763/4885KMT2A 2749/4885KDM4E 2463/4885

“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.