SCHEMBL16619920

SCHEMBL16619920

O=C1CN(Cc2cccc(Cl)c2)Cc2cc3c(Br)nn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3cc2N1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.45
SIGMAR1 Q99720 2/20 0.38
DRD2 P14416 2/20 0.36
DRD3 P35462 1/20 0.36
KCNH2 Q12809 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
CARM1 Q86X55 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ATM Q13315 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM3 P20309 1/20 0.35
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34
MAPT P10636 1/20 0.34
CLPP Q16740 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL16620239 0.82 MAPK1 (0.59) MAPK1
SCHEMBL24329212 0.81 MAPK1 (0.50) MAPK1ACHE
SCHEMBL16619800 0.75 MAPK1 (0.56) MAPK1ACHEALDH1A1
SCHEMBL17957799 0.68 HDAC1 (0.52) MAPK1KCNH2ATMCHRM3ACHE
SCHEMBL16619720 0.67 CTSB (0.37)
SCHEMBL16620560 0.66 MAPK1 (0.66) MAPK1ACHE
SCHEMBL16619816 0.66 MAPK1 (0.85) MAPK1
SCHEMBL31332406 0.65 EPHX2 (0.57) MAPK1SIGMAR1DRD2DRD3KCNH2
SCHEMBL10232320 0.64 LMNA (0.48) SIGMAR1DRD2DRD3ACHEMAPT
SCHEMBL18024684 0.64 MAPK1 (0.72) MAPK1MAPT

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 12/4885SIGMAR1 3618/4885DRD2 4875/4885
US-20170226110-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 MAPK1 12/4885SIGMAR1 3618/4885DRD2 4875/4885
US-20180237444-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 MAPK1 12/4885SIGMAR1 3618/4885DRD2 4875/4885
US-20190292194-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 MAPK1 12/4885SIGMAR1 3618/4885DRD2 4875/4885
US-20160237091-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 MAPK1 12/4885SIGMAR1 3618/4885DRD2 4875/4885

“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.