SCHEMBL16620018

SCHEMBL16620018

Nc1cc2c(cc1C=O)c(Br)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
HSP90AA1 P07900 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL20920118 0.85 MAPK1 (0.32) MAPK1
SCHEMBL18022535 0.78 NPC1 (0.37) MAPK1
SCHEMBL28209420 0.78 ALDH1A1 (0.35) MEN1KMT2AMAPK1
SCHEMBL16620570 0.78 MAPK1 (0.31) MAPK1
SCHEMBL16620507 0.77 ALDH1A1 (0.34) MEN1KMT2AMAPK1
SCHEMBL16619820 0.77 ALDH1A1 (0.34) MEN1KMT2AMAPK1
SCHEMBL24330142 0.76 ROCK1 (0.34) MEN1KMT2AMAPK1
SCHEMBL16619981 0.76 MAPK1 (0.33) MAPK1
SCHEMBL12373963 0.76 CNR1 (0.39) MEN1KMT2AMAPK1
SCHEMBL28210002 0.76 ACSS2 (0.35) MEN1KMT2AMAPK1

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 18 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-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
EP-3052096-A1 INHIBITORS OF ERK AND METHODS OF USE Kura Oncology, Inc. (US) 2016-08-10 EP disclosed
CN-105636586-A ERK inhibitors and methods of use ARAXES PHARMA LLC 2016-06-01 CN 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 MEN1 3387/4885HSP90AA1 824/4885KMT2A 2749/4885
US-20170226110-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 MEN1 3387/4885HSP90AA1 824/4885KMT2A 2749/4885
US-20180237444-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 MEN1 3387/4885HSP90AA1 824/4885KMT2A 2749/4885
US-20190292194-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 MEN1 3387/4885HSP90AA1 824/4885KMT2A 2749/4885
US-20160237091-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 MEN1 3387/4885HSP90AA1 824/4885KMT2A 2749/4885

“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.