SCHEMBL209937

SCHEMBL209937

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

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
CDK9 P50750 1/20 0.32
ABL1 P00519 2/20 0.32
PDGFRB P09619 1/20 0.32
SRC P12931 1/20 0.32
PDGFRA P16234 1/20 0.32
MAPK14 Q16539 1/20 0.32
MET P08581 1/20 0.31
EGFR P00533 2/20 0.31
ITK Q08881 1/20 0.31
SCN9A Q15858 1/20 0.31
AURKB Q96GD4 1/20 0.30
ANO1 Q5XXA6 1/20 0.30
P2RX4 Q99571 1/20 0.30
PTGES O14684 1/20 0.30
NQO2 P16083 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
SCHEMBL210996 0.94 GSK3B (0.33) GSK3BDYRK1ACDK9ABL1PDGFRB
SCHEMBL210973 0.92 P2RX4 (0.32) ABL1P2RX4
SCHEMBL212277 0.90 CDK9 (0.32) GSK3BDYRK1ACDK9SCN9A
SCHEMBL209938 0.89 GSK3B (0.33) GSK3BDYRK1ACDK9ABL1PDGFRB
SCHEMBL211097 0.89 MET (0.36) GSK3BDYRK1ACDK9ABL1MET
SCHEMBL212529 0.88 ABL1 (0.33) GSK3BDYRK1AABL1P2RX4
SCHEMBL211041 0.87 CCNT1 (0.36) GSK3BDYRK1ACDK9
SCHEMBL209685 0.87 CARM1 (0.34) ABL1P2RX4
SCHEMBL210583 0.87 ABL1 (0.33) ABL1P2RX4
SCHEMBL212989 0.87 ABL1 (0.31) ABL1P2RX4

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.