SCHEMBL16620119

SCHEMBL16620119

CC(C)(C)C1CN(Cc2ccccc2)CC1NCc1cc2c(Br)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.34
MAPK1 P28482 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33
BACE1 P56817 2/20 0.33
MAPT P10636 2/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
KDM1A O60341 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
DRD2 P14416 2/20 0.30
DRD4 P21917 2/20 0.30
DRD3 P35462 2/20 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
SCHEMBL16620031 0.86 BCHE (0.31) BCHEACHEBACE1DRD2DRD4
SCHEMBL16620569 0.75 CYP19A1 (0.32) MAPTMEN1KMT2AALDH1A1
SCHEMBL29584493 0.75 CYP19A1 (0.32) MAPTMEN1KMT2AALDH1A1
SCHEMBL16619720 0.75 CTSB (0.37) KMT2A
SCHEMBL16620027 0.74 CTSB (0.33) MAPTMEN1KMT2A
SCHEMBL16619986 0.74 ALDH1A1 (0.40) MAPK1NPSR1MAPTMEN1KMT2A
SCHEMBL20916820 0.73 CTSB (0.35) MAPK1NPSR1MAPTRAB9AMEN1
SCHEMBL30554375 0.73 CTSB (0.35) MAPK1NPSR1MAPTRAB9AMEN1
SCHEMBL16619988 0.72 MEN1 (0.39) MAPK1ACHEMAPTRAB9AMEN1
SCHEMBL1201016 0.72 PIN1 (0.32)

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 SIGMAR1 3618/4885MAPK1 12/4885NPSR1 4460/4885
US-20170226110-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 SIGMAR1 3618/4885MAPK1 12/4885NPSR1 4460/4885
US-20180237444-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 SIGMAR1 3618/4885MAPK1 12/4885NPSR1 4460/4885
US-20190292194-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 SIGMAR1 3618/4885MAPK1 12/4885NPSR1 4460/4885
US-20160237091-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 SIGMAR1 3618/4885MAPK1 12/4885NPSR1 4460/4885

“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.