SCHEMBL1770366

SCHEMBL1770366

Cc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)c(C)cc1N

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
THRB P10828 1/20 0.52
GPR119 Q8TDV5 6/20 0.46
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
DPP4 P27487 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.43
TP53 P04637 1/20 0.42
NAMPT P43490 1/20 0.42
EPHX2 P34913 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL1770333 0.89 THRB (0.52) KDM4EMAPTTHRBGPR119DPP4
SCHEMBL19107652 0.89 THRB (0.49) KDM4EMAPTTHRBGPR119DPP4
SCHEMBL17303745 0.88 KDM4E (0.48) KDM4EMAPTTHRBGPR119HPGD
SCHEMBL17304114 0.87 MAPT (0.47) KDM4EMAPTTHRBGPR119PTPN2
SCHEMBL17304115 0.87 KDM4E (0.47) KDM4EMAPTTHRBGPR119PTPN2
SCHEMBL1770494 0.87 KDM4E (0.43) KDM4EMAPTTHRBGPR119KMT2A
SCHEMBL17303744 0.86 PDE4B (0.48) KDM4EMAPTTHRBGPR119DPP4
SCHEMBL17303751 0.85 MAPT (0.46) KDM4EMAPTTHRBGPR119DPP4
SCHEMBL17304126 0.85 KDM4E (0.46) KDM4EMAPTTHRBGPR119PTPN2
SCHEMBL1012726 0.85 MAPT (0.46) KDM4EMAPTTHRBGPR119PTPN2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10023593-B2 ALK kinase inhibitor, and preparation method and uses thereof BEIJING PEARL BIOTECHNOLOGY LIMITED LIABILITY COMPANY (CN) 2018-07-17 US disclosed
US-20170247392-A1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USES THEREOF SHANGHAI EMERALD WELLCARES PHARMACEUTICAL CO., LTD (CN) 2017-08-31 US disclosed
US-8859574-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2014-10-14 US disclosed
US-20130310361-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2013-11-21 US disclosed
US-8519129-B2 Pyrimidine derivatives as kinase inhibitors IRM LLC (BM) 2013-08-27 US disclosed
US-20110112063-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2011-05-12 US disclosed
EP-2318392-A2 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2011-05-11 EP disclosed
WO-2010002655-A2 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-01-07 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 (4 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-20170247392-A1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USES THEREOF ALK, BRAF, ABL1 KDM4E 497/4885MAPT 2610/4885THRB 1543/4885
US-20130310361-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IGF1R, IRS1, IP6K1 KDM4E 1272/4885MAPT 3482/4885THRB 1056/4885
US-10023593-B2 ALK kinase inhibitor, and preparation method and uses thereof ALK, BRAF, ABL1 KDM4E 497/4885MAPT 2610/4885THRB 1543/4885
US-20110112063-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IGF1R, TYMP, PDXK KDM4E 1822/4885MAPT 4046/4885THRB 1240/4885

“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.