SCHEMBL214050

SCHEMBL214050

CN(C(=O)NCc1cccc(F)c1Cl)C(CCCNCCNC(=O)OC(C)(C)C)COC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 4/20 0.36
EGFR P00533 3/20 0.36
CTSK P43235 1/20 0.33
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32
MET P08581 1/20 0.32
SCN9A Q15858 1/20 0.32
CPB2 Q96IY4 1/20 0.32
NQO2 P16083 1/20 0.31
STK17B O94768 1/20 0.31
STK17A Q9UEE5 1/20 0.31
PTGES O14684 1/20 0.31
FGFR1 P11362 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
ACVR1B P36896 1/20 0.31
TGFBR1 P36897 1/20 0.31
ACVRL1 P37023 1/20 0.31
MAPK3 P27361 1/20 0.30

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
SCHEMBL2727912 1.00 ITK (0.36) ITKEGFRCTSKCKS1BSKP1
SCHEMBL210544 0.90 ITK (0.37) ITKEGFRCKS1BSKP1SKP2
SCHEMBL211128 0.88 CTSK (0.36) CTSK
SCHEMBL211551 0.87 CTSK (0.37) CTSKGSK3BDYRK1A
SCHEMBL2723788 0.87 CTSK (0.37) CTSK
SCHEMBL2728062 0.87 CTSK (0.37) CTSKGSK3BDYRK1A
SCHEMBL210608 0.87 CTSK (0.37) CTSK
SCHEMBL213763 0.87 CTSK (0.37) CTSK
SCHEMBL210829 0.86 ANO1 (0.34) ITKEGFRCTSKMETSCN9A
SCHEMBL210830 0.86 ANO1 (0.34) ITKEGFRCTSKMETSCN9A

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 ITK 4643/4885EGFR 4767/4885CTSK 1455/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 ITK 4643/4885EGFR 4767/4885CTSK 1455/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 ITK 4643/4885EGFR 4767/4885CTSK 1455/4885

“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.