SCHEMBL210475

SCHEMBL210475

CN(C(=O)NCc1cccc(F)c1Cl)C(CNC(=O)CNC(=O)OC(C)(C)C)COC(=O)Nc1cc2cc(F)ccc2cn1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.36
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
ABL1 P00519 12/20 0.33
EGFR P00533 2/20 0.33
AURKB Q96GD4 1/20 0.33
CDK9 P50750 1/20 0.32
CCNT1 O60563 1/20 0.31
ANO1 Q5XXA6 1/20 0.31
PTGES O14684 1/20 0.31
ITK Q08881 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
SCHEMBL210474 1.00 MET (0.36) METGSK3BDYRK1AABL1EGFR
SCHEMBL210473 1.00 MET (0.36) METGSK3BDYRK1AABL1EGFR
SCHEMBL2724403 0.95 GSK3B (0.36) METGSK3BDYRK1AABL1EGFR
SCHEMBL9607846 0.93 ABL1 (0.35) METGSK3BDYRK1AABL1
SCHEMBL211199 0.92 MET (0.36) METGSK3BDYRK1AABL1EGFR
SCHEMBL211198 0.92 MET (0.36) METGSK3BDYRK1AABL1EGFR
SCHEMBL14734336 0.91 GSK3B (0.33) METGSK3BDYRK1AABL1EGFR
SCHEMBL213551 0.90 ITK (0.34) METGSK3BDYRK1AABL1EGFR
SCHEMBL211097 0.90 MET (0.36) METGSK3BDYRK1AABL1EGFR
SCHEMBL211438 0.89 CARM1 (0.36) ABL1ANO1

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 6 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
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 MET 1850/4885GSK3B 776/4885DYRK1A 4356/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 MET 1850/4885GSK3B 776/4885DYRK1A 4356/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 MET 1850/4885GSK3B 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.