SCHEMBL16620366

SCHEMBL16620366

O=[N+]([O-])c1cc2c(cnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1CCNCc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 3/20 0.45
KMT2A Q03164 3/20 0.45
MPO P05164 1/20 0.38
MEN1 O00255 2/20 0.36
LTA4H P09960 1/20 0.35
EPHX2 P34913 1/20 0.35
LMNA P02545 2/20 0.35
SMO Q99835 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
POLB P06746 1/20 0.34
KCNH2 Q12809 1/20 0.34
MAPK1 P28482 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 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
SCHEMBL16620202 0.85 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1LMNASMO
SCHEMBL16619670 0.84 MPO (0.41) ALDH1A1KDM4EKMT2AMPOMEN1
SCHEMBL16619703 0.80 PIN1 (0.36) ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL20475238 0.80 LMNA (0.35) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL28067984 0.77 PIN1 (0.34) LMNAMAPTSMN1; SMN2
SCHEMBL16213434 0.77 ALDH1A1 (0.39) ALDH1A1KDM4EKMT2AMPOMEN1
SCHEMBL16620378 0.76 MAPT (0.46) ALDH1A1KMT2AMEN1LMNACYP1A2
SCHEMBL16619914 0.76 CYP1A2 (0.42) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL16619986 0.74 ALDH1A1 (0.40) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL18024520 0.72 ALDH1A1 (0.35) ALDH1A1KDM4ELMNACYP3A4MAPT

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 ALDH1A1 2763/4885KDM4E 2463/4885KMT2A 2749/4885
US-20170226110-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 ALDH1A1 2763/4885KDM4E 2463/4885KMT2A 2749/4885
US-20180237444-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 ALDH1A1 2763/4885KDM4E 2463/4885KMT2A 2749/4885
US-20190292194-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 ALDH1A1 2763/4885KDM4E 2463/4885KMT2A 2749/4885
US-20160237091-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 ALDH1A1 2763/4885KDM4E 2463/4885KMT2A 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.