SCHEMBL14734336

SCHEMBL14734336

CN(C(=O)NCc1cccc(F)c1CI)[C@@H](CNC(=O)CNC(=O)OC(C)(C)C)COC(=O)Nc1cc2cc(F)ccc2cn1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
MET P08581 1/20 0.33
ABL1 P00519 9/20 0.32
CDK9 P50750 1/20 0.32
EGFR P00533 1/20 0.30
ITK Q08881 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
SCHEMBL9607846 0.92 ABL1 (0.35) GSK3BDYRK1AMETABL1
SCHEMBL210475 0.91 MET (0.36) GSK3BDYRK1AMETABL1CDK9
SCHEMBL210474 0.91 MET (0.36) GSK3BDYRK1AMETABL1CDK9
SCHEMBL210473 0.91 MET (0.36) GSK3BDYRK1AMETABL1CDK9
SCHEMBL14734322 0.90 CARM1 (0.36) ABL1
SCHEMBL14734306 0.88 SCN9A (0.32) GSK3BDYRK1ACDK9
SCHEMBL14734323 0.87 SCN9A (0.32) GSK3BDYRK1ACDK9
SCHEMBL2724403 0.86 GSK3B (0.36) GSK3BDYRK1AMETABL1CDK9
SCHEMBL211198 0.84 MET (0.36) GSK3BDYRK1AMETABL1CDK9
SCHEMBL211199 0.84 MET (0.36) GSK3BDYRK1AMETABL1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 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 (1 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-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 GSK3B 776/4885DYRK1A 4356/4885MET 1850/4885

“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.