SCHEMBL2724403

SCHEMBL2724403

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
ABL1 P00519 13/20 0.35
CDK9 P50750 1/20 0.34
PTGES O14684 1/20 0.32
MET P08581 1/20 0.32
EGFR P00533 1/20 0.32
ITK Q08881 1/20 0.32
CCNT1 O60563 1/20 0.32
ANO1 Q5XXA6 1/20 0.32

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
SCHEMBL210475 0.95 MET (0.36) GSK3BDYRK1AABL1CDK9PTGES
SCHEMBL210473 0.95 MET (0.36) GSK3BDYRK1AABL1CDK9PTGES
SCHEMBL210474 0.95 MET (0.36) GSK3BDYRK1AABL1CDK9PTGES
SCHEMBL210544 0.92 ITK (0.37) GSK3BDYRK1AABL1CDK9PTGES
SCHEMBL213551 0.91 ITK (0.34) GSK3BDYRK1AABL1CDK9PTGES
SCHEMBL212546 0.91 GSK3B (0.34) GSK3BDYRK1AABL1CDK9PTGES
SCHEMBL209938 0.90 GSK3B (0.33) GSK3BDYRK1AABL1CDK9PTGES
SCHEMBL211438 0.90 CARM1 (0.36) ABL1ANO1
SCHEMBL213898 0.90 CARM1 (0.36) ABL1ANO1
SCHEMBL213899 0.90 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 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
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

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 4356/4885ABL1 956/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 GSK3B 776/4885DYRK1A 4356/4885ABL1 956/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 GSK3B 776/4885DYRK1A 4356/4885ABL1 956/4885

“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.