SCHEMBL16620723

SCHEMBL16620723

CC(c1ccccc1)c1cc2cc3c(Br)nn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3cc2[nH]c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 10/20 0.50
KDM4E B2RXH2 5/20 0.33
HSD17B10 Q99714 4/20 0.33
USP2 O75604 2/20 0.33
MAPT P10636 3/20 0.32
GAA P10253 3/20 0.32
ALDH1A1 P00352 3/20 0.32
TSHR P16473 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
HPGD P15428 2/20 0.32
CASP1 P29466 2/20 0.32
CASP7 P55210 2/20 0.32
GLA P06280 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTPN22 Q9Y2R2 2/20 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
SCHEMBL16619781 0.81 MAPK1 (0.67) MAPK1
SCHEMBL16620153 0.78 MAPK1 (0.37) MAPK1POLB
SCHEMBL16621230 0.77 MAPK1 (0.60) MAPK1
SCHEMBL20916766 0.71 PTGS2 (0.41) MAPK1KDM4EGAAALDH1A1HTT
SCHEMBL20916763 0.71 PTGS2 (0.41) MAPK1KDM4EGAAALDH1A1HTT
SCHEMBL28335650 0.69 PIN1 (0.40) MAPK1
SCHEMBL16224911 0.68 MAPK1 (0.59) MAPK1
SCHEMBL22284234 0.68 MEN1 (0.35) MEN1KMT2A
SCHEMBL20916785 0.67 MAPK1 (0.37) MAPK1KDM4EHSD17B10USP2MAPT
SCHEMBL16631071 0.67 MAPK1 (1.00) MAPK1

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 MAPK1 12/4885KDM4E 2463/4885HSD17B10 3515/4885
US-20170226110-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 MAPK1 12/4885KDM4E 2463/4885HSD17B10 3515/4885
US-20180237444-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 MAPK1 12/4885KDM4E 2463/4885HSD17B10 3515/4885
US-20190292194-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 MAPK1 12/4885KDM4E 2463/4885HSD17B10 3515/4885
US-20160237091-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 MAPK1 12/4885KDM4E 2463/4885HSD17B10 3515/4885

“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.