SCHEMBL16619911

SCHEMBL16619911

CC(=O)Nc1cc2c(cc1C(=O)O)c(-c1ccnc(C)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 1/20 0.40
RORC P51449 1/20 0.40
NR2E1 Q9Y466 1/20 0.37
MAPK1 P28482 6/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
WNT3A P56704 3/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
PORCN Q9H237 1/20 0.35
SORT1 Q99523 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
CYP3A4 P08684 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
SCHEMBL19223243 0.90 NPC1 (0.41) FTOMAPK1NPC1RAB9AWNT3A
SCHEMBL16619783 0.89 MAPK1 (0.37) FTORORCMAPK1NPC1RAB9A
SCHEMBL16620394 0.87 MAPK1 (0.35) NR2E1MAPK1WNT3APSEN1PSEN2
SCHEMBL16620566 0.86 MAPK1 (0.35) MAPK1WNT3APSEN1PSEN2APH1B
SCHEMBL16630787 0.83 KDM4C (0.40) FTORORCMAPK1SORT1KDM4C
SCHEMBL16620238 0.81 MAPK1 (0.41) MAPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL16620241 0.81 MAPK1 (0.41) MAPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL9959710 0.80 KDM4E (0.38) RORCMAPK1
SCHEMBL29511828 0.79 MAPK1 (0.39) MAPK1CYP3A4
SCHEMBL20474956 0.79 MAPK1 (0.39) MAPK1CYP3A4

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 FTO 4882/4885RORC 1707/4885NR2E1 2219/4885
US-20170226110-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 FTO 4882/4885RORC 1707/4885NR2E1 2219/4885
US-20180237444-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 FTO 4882/4885RORC 1707/4885NR2E1 2219/4885
US-20190292194-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 FTO 4882/4885RORC 1707/4885NR2E1 2219/4885
US-20160237091-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 FTO 4882/4885RORC 1707/4885NR2E1 2219/4885

“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.