SCHEMBL211651

SCHEMBL211651

CC(C)(C)OC(=O)CNC(COCC1COC(C)(C)O1)COC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.34
DYRK1A Q13627 2/20 0.34
NOTUM Q6P988 1/20 0.34
WNT1 P04628 1/20 0.33
MTOR P42345 1/20 0.33
ABL1 P00519 3/20 0.32
CPB2 Q96IY4 1/20 0.32
MAPK14 Q16539 4/20 0.32
TSHR P16473 1/20 0.31
FSHR P23945 1/20 0.31
KCNJ5 P48544 1/20 0.31
KCNJ3 P48549 1/20 0.31
DGAT1 O75907 1/20 0.31
CTSK P43235 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
SCHEMBL211652 0.84 GSK3B (0.34) GSK3BDYRK1ANOTUMMTORABL1
SCHEMBL2727114 0.84 GSK3B (0.34) GSK3BDYRK1ANOTUMMTORABL1
SCHEMBL211151 0.75 NOTUM (0.42) GSK3BDYRK1ANOTUMWNT1MTOR
SCHEMBL211150 0.75 NOTUM (0.42) GSK3BDYRK1ANOTUMWNT1MTOR
SCHEMBL211188 0.74 SYK (0.46) GSK3BDYRK1ANOTUMWNT1TSHR
SCHEMBL212186 0.69 PPARA (0.49)
SCHEMBL2727081 0.69 PPARA (0.49)
SCHEMBL30636341 0.67 GSK3B (0.60) GSK3BDYRK1ANOTUMMTORABL1
SCHEMBL28166698 0.67 GSK3B (0.60) GSK3BDYRK1ANOTUMMTORABL1
SCHEMBL9606657 0.66 CA2 (0.38) CTSKF10

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.