SCHEMBL16619670

SCHEMBL16619670

Nc1cc2c(cnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1CCNCc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.41
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LTA4H P09960 1/20 0.38
EPHX2 P34913 1/20 0.38
HTR2A P28223 1/20 0.35
SMO Q99835 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
NOS1 P29475 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL16620366 0.84 ALDH1A1 (0.45) MPOALDH1A1KDM4ELTA4HEPHX2
SCHEMBL29447706 0.73 CYP11B1 (0.35) SMN1; SMN2
SCHEMBL16620146 0.71 ALDH1A1 (0.39) ALDH1A1KDM4EL3MBTL1SMN1; SMN2HTT
SCHEMBL16620202 0.70 ALDH1A1 (0.43) ALDH1A1SMOL3MBTL1SMN1; SMN2HTT
SCHEMBL28067981 0.69 MAPT (0.32)
SCHEMBL20560054 0.68 MAPK1 (0.35) MAPK1
SCHEMBL20401326 0.64 ACSS2 (0.39) ALDH1A1KDM4EL3MBTL1SMN1; SMN2HTT
SCHEMBL29447613 0.64 CYP11B1 (0.35)
SCHEMBL12074315 0.64 HDAC8 (0.36) SMO
SCHEMBL14895594 0.63 PDPK1 (0.43)

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 MPO 2956/4885ALDH1A1 2763/4885KDM4E 2463/4885
US-20170226110-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 MPO 2956/4885ALDH1A1 2763/4885KDM4E 2463/4885
US-20180237444-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 MPO 2956/4885ALDH1A1 2763/4885KDM4E 2463/4885
US-20190292194-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 MPO 2956/4885ALDH1A1 2763/4885KDM4E 2463/4885
US-20160237091-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 MPO 2956/4885ALDH1A1 2763/4885KDM4E 2463/4885

“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.