SCHEMBL210996

SCHEMBL210996

CC(=O)N(NCc1cccc(F)c1Cl)[C@H](COC(=O)Nc1cc2cc(F)ccc2cn1)CC(=O)NCCNC(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
CDK9 P50750 1/20 0.33
MET P08581 1/20 0.32
EGFR P00533 2/20 0.32
ITK Q08881 2/20 0.32
SCN9A Q15858 2/20 0.31
ABL1 P00519 3/20 0.31
AURKB Q96GD4 1/20 0.31
ANO1 Q5XXA6 1/20 0.31
PDGFRB P09619 1/20 0.31
SRC P12931 1/20 0.31
PDGFRA P16234 1/20 0.31
MAPK14 Q16539 1/20 0.31
P2RX4 Q99571 1/20 0.31
NQO2 P16083 1/20 0.31
PTGES O14684 1/20 0.31
ACVR1B P36896 1/20 0.30
TGFBR1 P36897 1/20 0.30
ACVRL1 P37023 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
SCHEMBL209937 0.94 GSK3B (0.33) GSK3BDYRK1ACDK9METEGFR
SCHEMBL212238 0.91 P2RX4 (0.32) ABL1P2RX4
SCHEMBL211097 0.90 MET (0.36) GSK3BDYRK1ACDK9METEGFR
SCHEMBL211003 0.90 CDK9 (0.32) GSK3BDYRK1ACDK9SCN9ACYP3A4
SCHEMBL213551 0.89 ITK (0.34) GSK3BDYRK1ACDK9METEGFR
SCHEMBL8513313 0.89
SCHEMBL209633 0.87 ABL1 (0.34) ABL1ANO1P2RX4
SCHEMBL2877969 0.87 CDK9 (0.31) CDK9SCN9ACYP3A4SCN10A
SCHEMBL3945890 0.87 CDK9 (0.31) CDK9SCN9ACYP3A4SCN10A
SCHEMBL211802 0.87 SYK (0.33) ABL1MAPK14P2RX4

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 11 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-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 4356/4885CDK9 1401/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 GSK3B 776/4885DYRK1A 4356/4885CDK9 1401/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 GSK3B 776/4885DYRK1A 4356/4885CDK9 1401/4885

“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.