SCHEMBL211652

SCHEMBL211652

CN(C(=O)OC(C)(C)C)C(COCC1COC(C)(C)O1)COC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
NOTUM Q6P988 1/20 0.34
MAPK14 Q16539 7/20 0.33
DGAT1 O75907 1/20 0.33
MTOR P42345 1/20 0.33
CTSK P43235 1/20 0.32
ABL1 P00519 4/20 0.32
AAK1 Q2M2I8 1/20 0.32
TSHR P16473 1/20 0.31
FSHR P23945 1/20 0.31
CPB2 Q96IY4 1/20 0.31
F10 P00742 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
SCHEMBL2727114 1.00 GSK3B (0.34) GSK3BDYRK1ANOTUMMAPK14DGAT1
SCHEMBL211651 0.84 GSK3B (0.34) GSK3BDYRK1ANOTUMMAPK14DGAT1
SCHEMBL9606797 0.80 CTSK (0.41) GSK3BDYRK1ANOTUMMTORCTSK
SCHEMBL212941 0.78 TMEM97 (0.40) DGAT1F10
SCHEMBL2727520 0.78 TMEM97 (0.40) DGAT1F10
SCHEMBL212095 0.75 CTSK (0.41) GSK3BDYRK1ANOTUMMTORCTSK
SCHEMBL212094 0.75 CTSK (0.41) GSK3BDYRK1ANOTUMMTORCTSK
SCHEMBL9606659 0.75 CA2 (0.37)
SCHEMBL211164 0.75 CA2 (0.37)
SCHEMBL2728356 0.75 CA2 (0.37)

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-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
EP-2195328-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Incorporated (US) 2010-06-16 EP disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US disclosed
WO-2009023193-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-02-19 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 (3 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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 GSK3B 776/4885DYRK1A 4356/4885NOTUM 2164/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 GSK3B 776/4885DYRK1A 4356/4885NOTUM 2164/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 GSK3B 776/4885DYRK1A 4356/4885NOTUM 2164/4885

“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.