SCHEMBL16620561

SCHEMBL16620561

[CH]1CCCCN1c1ccncn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SORD Q00796 2/20 0.43
RPS6KA5 O75582 1/20 0.36
CHKA P35790 1/20 0.35
HSP90AA1 P07900 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
DRD4 P21917 1/20 0.32
GSK3B P49841 1/20 0.32
CCNA2 P20248 1/20 0.32
CCNO P22674 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
CDC42BPB Q9Y5S2 1/20 0.31
CDC7 O00311 1/20 0.31
LSS P48449 1/20 0.31
AKT1 P31749 1/20 0.31
GRM1 Q13255 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL207223 0.76 CHKA (0.56) CHKATDP1L3MBTL1HRH3
SCHEMBL30775404 0.76 SORD (0.56) SORDCHKAGPR119DRD4GSK3B
SCHEMBL4453478 0.76 SORD (0.56) SORDCHKAGPR119DRD4GSK3B
SCHEMBL3116626 0.76 PLD1 (0.46) SORD
SCHEMBL209842 0.75 SORD (0.54) SORDCHKAGPR119DRD4GSK3B
SCHEMBL209844 0.75 SORD (0.54) SORDCHKAGPR119DRD4GSK3B
SCHEMBL29611181 0.75 SORD (0.54) SORDCHKAGPR119DRD4GSK3B
SCHEMBL2646639 0.72 SORD (0.40) SORDGPR119L3MBTL1
SCHEMBL15659725 0.71 PLD1 (0.38) SORDRPS6KA5HSP90AA1GPR119DRD4
SCHEMBL9767811 0.71

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 SORD 2639/4885RPS6KA5 245/4885CHKA 467/4885
US-20170226110-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 SORD 2639/4885RPS6KA5 245/4885CHKA 467/4885
US-20180237444-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 SORD 2639/4885RPS6KA5 245/4885CHKA 467/4885
US-20190292194-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 SORD 2639/4885RPS6KA5 245/4885CHKA 467/4885
US-20160237091-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 SORD 2639/4885RPS6KA5 245/4885CHKA 467/4885

“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.