SCHEMBL16619577

SCHEMBL16619577

O=[N+]([O-])c1cc2c(cc1CNCc1ccccc1)c(-c1ccncc1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.42
POLB P06746 3/20 0.39
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HTT P42858 3/20 0.35
KDM4E B2RXH2 1/20 0.35
LRRK2 Q5S007 1/20 0.34
MAPT P10636 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
MAPK1 P28482 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
MAPK3 P27361 1/20 0.33
XBP1 P17861 1/20 0.33
ROCK2 O75116 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
SCHEMBL16213443 0.89 CTSB (0.43) CTSBL3MBTL1LMNAALDH1A1HTT
SCHEMBL18024683 0.87 L3MBTL1 (0.36) CTSBPOLBCYP11B1CYP11B2L3MBTL1
SCHEMBL20920119 0.85 L3MBTL1 (0.41) POLBCYP11B1CYP11B2L3MBTL1LMNA
SCHEMBL16619937 0.84 ALDH1A1 (0.36) LMNAALDH1A1HTTKDM4EMAPT
SCHEMBL30554363 0.82 ALDH1A1 (0.39) CYP11B1CYP11B2L3MBTL1LMNAALDH1A1
SCHEMBL20916813 0.82 ALDH1A1 (0.39) CYP11B1CYP11B2L3MBTL1LMNAALDH1A1
SCHEMBL16620034 0.81 L3MBTL1 (0.41) POLBCYP11B1CYP11B2L3MBTL1LMNA
SCHEMBL16619750 0.79 CYP11B1 (0.34) POLBCYP11B1CYP11B2L3MBTL1LMNA
SCHEMBL20916774 0.79 L3MBTL1 (0.36) POLBCYP11B1CYP11B2L3MBTL1LMNA
SCHEMBL16619986 0.79 ALDH1A1 (0.40) CTSBPOLBL3MBTL1LMNAALDH1A1

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 13 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-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
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 CTSB 2179/4885POLB 1718/4885CYP11B1 1694/4885
US-20170226110-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 CTSB 2179/4885POLB 1718/4885CYP11B1 1694/4885
US-20180237444-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 CTSB 2179/4885POLB 1718/4885CYP11B1 1694/4885
US-20190292194-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 CTSB 2179/4885POLB 1718/4885CYP11B1 1694/4885
US-20160237091-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 CTSB 2179/4885POLB 1718/4885CYP11B1 1694/4885

“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.