SCHEMBL16630950

SCHEMBL16630950

COc1ncc(-c2n[nH]c3cc4[nH]c(=O)c(C5CCCN(Cc6ccccc6)C5)cc4cc23)cn1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 16/20 0.83
HPGDS O60760 1/20 0.41

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
SCHEMBL21787822 0.91 MAPK1 (0.85) MAPK1HPGDS
SCHEMBL18024369 0.91 MAPK1 (1.00) MAPK1
SCHEMBL19775553 0.89 MAPK1 (0.79) MAPK1HPGDS
SCHEMBL16630989 0.89 MAPK1 (0.82) MAPK1
SCHEMBL18024672 0.88 MAPK1 (1.00) MAPK1HPGDS
SCHEMBL16631073 0.86 MAPK1 (1.00) MAPK1
SCHEMBL16631176 0.86 MAPK1 (0.86) MAPK1
SCHEMBL18024590 0.76 MAPK1 (1.00) MAPK1
SCHEMBL16631018 0.76 MAPK1 (1.00) MAPK1
SCHEMBL16630898 0.76 MAPK1 (1.00) 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 9 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-9951078-B2 Inhibitors of ERK and methods of use KURA ONCOLOGY, INC. (US) 2018-04-24 US 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
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 12/4885HPGDS 517/4885
US-20170226110-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 MAPK1 12/4885HPGDS 517/4885
US-20190292194-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 MAPK1 12/4885HPGDS 517/4885
US-20160237091-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 MAPK1 12/4885HPGDS 517/4885
US-20190192517-A1 TREATMENT OF SQUAMOUS CELL CARCINOMAS WITH INHIBITORS OF ERK HRAS, TP53, MAP3K2 MAPK1 51/4885HPGDS 939/4885

“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.