SCHEMBL16631071

SCHEMBL16631071

CC(c1ccccc1)c1cc2cc3c(N4CCN(C)CC4)n[nH]c3cc2[nH]c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 16/20 1.00
HTR3A P46098 2/20 0.44
HRH4 Q9H3N8 1/20 0.44
MAP4K1 Q92918 1/20 0.41
CDC7 O00311 1/20 0.40

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
SCHEMBL16631053 0.89 MAPK1 (0.81) MAPK1
SCHEMBL18024350 0.84 MAPK1 (0.72) MAPK1MAP4K1
SCHEMBL16620654 0.83 MAPK1 (0.83) MAPK1MAP4K1
SCHEMBL16631183 0.78 MAPK1 (0.67) MAPK1
SCHEMBL21107158 0.77 MAPK1 (0.66) MAPK1
SCHEMBL16631146 0.76 MAPK1 (0.78) MAPK1
SCHEMBL16631046 0.76 MAPK1 (0.67) MAPK1
SCHEMBL18024384 0.74 MAPK1 (0.59) MAPK1
SCHEMBL16631144 0.74 MAPK1 (0.81) MAPK1
SCHEMBL16631042 0.74 MAPK1 (0.74) 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
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
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
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 12/4885HTR3A 4375/4885HRH4 3805/4885
US-20170226110-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 MAPK1 12/4885HTR3A 4375/4885HRH4 3805/4885
US-20190292194-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 MAPK1 12/4885HTR3A 4375/4885HRH4 3805/4885
US-20160237091-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 MAPK1 12/4885HTR3A 4375/4885HRH4 3805/4885
US-20190192517-A1 TREATMENT OF SQUAMOUS CELL CARCINOMAS WITH INHIBITORS OF ERK HRAS, TP53, MAP3K2 MAPK1 51/4885HTR3A 3720/4885HRH4 2839/4885

“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.