SCHEMBL211004

SCHEMBL211004

CN(C(=O)NCc1cccc(F)c1Cl)[C@H](COC(=O)Nc1cc2cc(F)ccc2cn1)CC(=O)NC[C@H](CO)NC(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.33
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
CDK9 P50750 1/20 0.32
SCN10A Q9Y5Y9 2/20 0.31
CYP3A4 P08684 1/20 0.31
PTPN1 P18031 1/20 0.31
ANO1 Q5XXA6 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
MET P08581 1/20 0.30
SYK P43405 1/20 0.30
AAK1 Q2M2I8 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
SCHEMBL2724552 0.94 SCN9A (0.32) SCN9AGSK3BDYRK1ACDK9SCN10A
SCHEMBL212278 0.94 SCN9A (0.32) SCN9AGSK3BDYRK1ACDK9SCN10A
SCHEMBL9607998 0.93 SCN9A (0.33) SCN9AGSK3BDYRK1ASCN10APTPN1
SCHEMBL14734306 0.92 SCN9A (0.32) SCN9AGSK3BDYRK1ACDK9PTPN1
SCHEMBL213551 0.90 ITK (0.34) SCN9AGSK3BDYRK1ACDK9ANO1
SCHEMBL211003 0.90 CDK9 (0.32) SCN9AGSK3BDYRK1ACDK9SCN10A
SCHEMBL211803 0.89 SYK (0.33) ANO1SYK
SCHEMBL213725 0.88 ABL1 (0.32) ANO1
SCHEMBL2724403 0.88 GSK3B (0.36) GSK3BDYRK1ACDK9ANO1MET
SCHEMBL210473 0.88 MET (0.36) GSK3BDYRK1ACDK9ANO1MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US claimed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US claimed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US claimed
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
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-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
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US 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 SCN9A 2543/4885GSK3B 776/4885DYRK1A 4356/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 SCN9A 2543/4885GSK3B 776/4885DYRK1A 4356/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 SCN9A 2543/4885GSK3B 776/4885DYRK1A 4356/4885

“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.