SCHEMBL16620654

SCHEMBL16620654

CC(c1ccccc1)c1cc2cc3c(-c4ccc(N5CCN(C)CC5)nc4)n[nH]c3cc2[nH]c1=O

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 12/20 0.83
TNKS O95271 3/20 0.49
AURKA O14965 2/20 0.47
PLK4 O00444 2/20 0.47
FLT3 P36888 2/20 0.47
KDR P35968 1/20 0.44
ETV6 P41212 1/20 0.44
MAP4K1 Q92918 1/20 0.43

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
SCHEMBL16631145 0.91 MAPK1 (1.00) MAPK1PLK4FLT3KDRETV6
SCHEMBL18024350 0.89 MAPK1 (0.72) MAPK1MAP4K1
SCHEMBL16621230 0.84 MAPK1 (0.60) MAPK1TNKSAURKAPLK4FLT3
SCHEMBL16631071 0.83 MAPK1 (1.00) MAPK1MAP4K1
SCHEMBL16631183 0.81 MAPK1 (0.67) MAPK1
SCHEMBL16631192 0.80 MAPK1 (0.72) MAPK1
SCHEMBL16631144 0.80 MAPK1 (0.81) MAPK1
SCHEMBL16631042 0.79 MAPK1 (0.74) MAPK1
SCHEMBL16631205 0.79 MAPK1 (0.74) MAPK1
SCHEMBL16631046 0.79 MAPK1 (0.67) MAPK1

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
WO-2020046966-A1 TREATMENT OF ADENOCARCINOMAS WITH MAPK PATHWAY INHIBITORS KURA ONCOLOGY, INC. (US) 2020-03-05 WO disclosed
US-20190292194-A1 INHIBITORS OF ERK AND METHODS OF USE KURA ONCOLOGY, INC. 2019-09-26 US disclosed
US-20190192517-A1 TREATMENT OF SQUAMOUS CELL CARCINOMAS WITH INHIBITORS OF ERK KURA ONCOLOGY, INC. 2019-06-27 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 (6 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 12/4885TNKS 654/4885AURKA 856/4885
US-20170226110-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 MAPK1 12/4885TNKS 654/4885AURKA 856/4885
US-20180237444-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 MAPK1 12/4885TNKS 654/4885AURKA 856/4885
US-20190292194-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 MAPK1 12/4885TNKS 654/4885AURKA 856/4885
US-20160237091-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 MAPK1 12/4885TNKS 654/4885AURKA 856/4885
US-20190192517-A1 TREATMENT OF SQUAMOUS CELL CARCINOMAS WITH INHIBITORS OF ERK HRAS, TP53, MAP3K2 MAPK1 51/4885TNKS 1970/4885AURKA 1285/4885

“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.