SCHEMBL16620146

SCHEMBL16620146

Nc1cc2c(cc1CNCc1ccc(F)cc1)c(Br)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
LMNA P02545 4/20 0.39
HTT P42858 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
MAPK1 P28482 2/20 0.39
MAPT P10636 1/20 0.39
XBP1 P17861 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 3/20 0.35
HASPIN Q8TF76 1/20 0.35
ROCK1 Q13464 1/20 0.33
GAA P10253 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
CYP1A2 P05177 1/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL24330142 0.94 ROCK1 (0.34) ALDH1A1LMNAHTTNPSR1MAPK1
SCHEMBL16619986 0.84 ALDH1A1 (0.40) ALDH1A1LMNAHTTNPSR1MAPK1
SCHEMBL16620015 0.80 KDM4E (0.31) ALDH1A1KDM4E
SCHEMBL16620570 0.78 MAPK1 (0.31) MAPK1
SCHEMBL16619937 0.77 ALDH1A1 (0.36) ALDH1A1LMNAHTTNPSR1MAPK1
SCHEMBL20920118 0.76 MAPK1 (0.32) MAPK1
SCHEMBL16213499 0.73 MAPK1 (0.36) ALDH1A1LMNAHTTNPSR1MAPK1
SCHEMBL16620031 0.72 BCHE (0.31)
SCHEMBL16620018 0.72 MEN1 (0.31) MAPK1MEN1KMT2A
SCHEMBL16620077 0.71 ALDH1A1 (0.37) ALDH1A1MAPK1MAPTMEN1KMT2A

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 12 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
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 ALDH1A1 2763/4885LMNA 3164/4885HTT 4568/4885
US-20170226110-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 ALDH1A1 2763/4885LMNA 3164/4885HTT 4568/4885
US-20180237444-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 ALDH1A1 2763/4885LMNA 3164/4885HTT 4568/4885
US-20190292194-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 ALDH1A1 2763/4885LMNA 3164/4885HTT 4568/4885
US-20160237091-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 ALDH1A1 2763/4885LMNA 3164/4885HTT 4568/4885

“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.