SCHEMBL4344353

SCHEMBL4344353

CN(C(=O)NCc1cccc(F)c1F)[C@@H](CCC(=O)N1CCN(C(=O)O)CC1)COC(=O)Nc1cc2cc(F)ccc2cn1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.32
HTR2A P28223 2/20 0.32
ITGB3 P05106 2/20 0.32
ITGAV P06756 2/20 0.32
GSK3B P49841 4/20 0.31
DYRK1A Q13627 4/20 0.31
ABL1 P00519 4/20 0.31
WNT1 P04628 2/20 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
SCHEMBL4351843 0.94 CTSK (0.33) METHTR2AITGB3ITGAVABL1
SCHEMBL4346944 0.94 ITGB3 (0.31) HTR2AITGB3ITGAVABL1
SCHEMBL2725885 0.93 DYRK1A (0.34) METGSK3BDYRK1AABL1WNT1
SCHEMBL212678 0.92 GPR119 (0.38) HTR2AGSK3BDYRK1AWNT1
SCHEMBL211681 0.90 ABL1 (0.34) METGSK3BDYRK1AABL1
SCHEMBL2758985 0.89 ABL1 (0.38) GSK3BDYRK1AABL1WNT1
SCHEMBL4344351 0.88 ITGB3 (0.32) METITGB3ITGAVGSK3BDYRK1A
SCHEMBL211178 0.88 ABL1 (0.33) METABL1
SCHEMBL2724074 0.88 ABL1 (0.33) METABL1
SCHEMBL4354883 0.87 CTSK (0.32) ITGB3ITGAV

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 5 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-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 1850/4885HTR2A 1184/4885ITGB3 538/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 MET 1850/4885HTR2A 1184/4885ITGB3 538/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 MET 1850/4885HTR2A 1184/4885ITGB3 538/4885

“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.