SCHEMBL16620640

SCHEMBL16620640

CC(=O)OCc1cc2c(Br)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 6/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 2/20 0.34
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
NPC1 O15118 1/20 0.34
MITF O75030 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
CCR6 P51684 1/20 0.34
ELANE P08246 3/20 0.34
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
OPRK1 P41145 1/20 0.32
CNR2 P34972 2/20 0.32
F2 P00734 1/20 0.32

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
SCHEMBL1198700 0.96 KMT2A (0.40) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL16620077 0.84 ALDH1A1 (0.37) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL29584493 0.84 CYP19A1 (0.32) KMT2AMEN1ALDH1A1MAPT
SCHEMBL16620569 0.84 CYP19A1 (0.32) KMT2AMEN1ALDH1A1MAPT
SCHEMBL16620027 0.83 CTSB (0.33) KMT2AMEN1MAPT
SCHEMBL1199662 0.82 MAPK1 (0.36) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL20916820 0.81 CTSB (0.35) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL30554375 0.81 CTSB (0.35) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL1201016 0.79 PIN1 (0.32)
SCHEMBL16620361 0.79 MEN1 (0.36) KMT2AMEN1ALDH1A1MAPTL3MBTL1

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-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
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-20170226110-A1 INHIBITORS OF ERK AND METHODS OF USE KURA ONCOLOGY, INC. 2017-08-10 US 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-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
US-20160237091-A1 INHIBITORS OF ERK AND METHODS OF USE KURA ONCOLOGY, INC. 2016-08-18 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 KMT2A 2749/4885MEN1 3387/4885ALDH1A1 2763/4885
US-20170226110-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 KMT2A 2749/4885MEN1 3387/4885ALDH1A1 2763/4885
US-20180237444-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 KMT2A 2749/4885MEN1 3387/4885ALDH1A1 2763/4885
US-20190292194-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 KMT2A 2749/4885MEN1 3387/4885ALDH1A1 2763/4885
US-20160237091-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 KMT2A 2749/4885MEN1 3387/4885ALDH1A1 2763/4885

“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.