SCHEMBL16620046

SCHEMBL16620046

CN(c1cc2c(Br)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1[N+](=O)[O-])C1CCCN(C(=O)O)C1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
HTT P42858 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 3/20 0.33
ALDH1A1 P00352 4/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 3/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
PRMT5 O14744 1/20 0.31
JAK2 O60674 2/20 0.30
JAK3 P52333 1/20 0.30
MEN1 O00255 1/20 0.30
JAK1 P23458 1/20 0.30
SERPINE1 P05121 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
SCHEMBL16619566 0.91 PRMT5 (0.41) LMNAHTTNPC1RAB9APRMT5
SCHEMBL16620048 0.79 ALDH1A1 (0.42) MAPTALDH1A1NPSR1KMT2AMEN1
SCHEMBL16620010 0.78 PRMT5 (0.43) KMT2APRMT5JAK2MEN1JAK1
SCHEMBL20916820 0.74 CTSB (0.35) LMNAHTTRAB9AMAPTALDH1A1
SCHEMBL30554375 0.74 CTSB (0.35) LMNAHTTRAB9AMAPTALDH1A1
SCHEMBL16620361 0.72 MEN1 (0.36) LMNAHTTNPC1RAB9AMAPT
SCHEMBL16619567 0.72 USP30 (0.42) ALDH1A1KMT2AMEN1
SCHEMBL16619564 0.72 USP30 (0.42) ALDH1A1KMT2AMEN1
SCHEMBL1198605 0.70 MEN1 (0.36) LMNAHTTNPC1RAB9AMAPT
SCHEMBL14859367 0.69 USP30 (0.44)

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 LMNA 3164/4885HTT 4568/4885NPC1 3186/4885
US-20170226110-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 LMNA 3164/4885HTT 4568/4885NPC1 3186/4885
US-20180237444-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 LMNA 3164/4885HTT 4568/4885NPC1 3186/4885
US-20190292194-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 LMNA 3164/4885HTT 4568/4885NPC1 3186/4885
US-20160237091-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 LMNA 3164/4885HTT 4568/4885NPC1 3186/4885

“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.