SCHEMBL16620385

SCHEMBL16620385

Nc1cc2c(Cc3ccccc3)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.35
TSHR P16473 1/20 0.35
ADORA2A P29274 4/20 0.34
ADORA1 P30542 3/20 0.33
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP2D6 P10635 1/20 0.31
LMNA P02545 1/20 0.31
PRNP P04156 1/20 0.31
PPARG P37231 1/20 0.31
HTT P42858 1/20 0.31
NCOA2 Q15596 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
PTPN1 P18031 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
SCHEMBL20920118 0.77 MAPK1 (0.32)
SCHEMBL20916954 0.72 SRC (0.34) ADORA2AADORA1ALDH1A1KDM4EHSD17B10
SCHEMBL30554351 0.72 SRC (0.34) ADORA2AADORA1ALDH1A1KDM4EHSD17B10
SCHEMBL16620570 0.70 MAPK1 (0.31)
SCHEMBL22284152 0.69 KDM4E (0.40) TSHRALDH1A1NPSR1KDM4EHSD17B10
SCHEMBL17859183 0.68 APP (0.32) ADORA2AADORA1
SCHEMBL22284230 0.68 ADORA2A (0.36) ADORA2A
SCHEMBL16620018 0.68 MEN1 (0.31)
SCHEMBL16213622 0.68 KDM4E (0.30) ALDH1A1KDM4ELMNA
SCHEMBL16619784 0.68 CASP7 (0.31)

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 LTB4R 2715/4885TSHR 3752/4885ADORA2A 4289/4885
US-20170226110-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 LTB4R 2715/4885TSHR 3752/4885ADORA2A 4289/4885
US-20180237444-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 LTB4R 2715/4885TSHR 3752/4885ADORA2A 4289/4885
US-20190292194-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 LTB4R 2715/4885TSHR 3752/4885ADORA2A 4289/4885
US-20160237091-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 LTB4R 2715/4885TSHR 3752/4885ADORA2A 4289/4885

“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.