SCHEMBL13637442

SCHEMBL13637442

CNC(=O)C[C@H](Cc1ccc(-c2cn(C)c(C(C)(C)C)n2)cc1)NC(=O)c1ccc(OC(C)C)c(I)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 3/20 0.43
ITGB3 P05106 2/20 0.35
ITGAV P06756 2/20 0.35
ITGB1 P05556 1/20 0.33
ITGA5 P08648 1/20 0.33
ITGB5 P18084 1/20 0.33
ITGB6 P18564 1/20 0.33
XDH P47989 1/20 0.33
BRD4 O60885 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC6 Q9UBN7 1/20 0.32
KIFC1 Q9BW19 1/20 0.32
MME P08473 2/20 0.31
SCN9A Q15858 1/20 0.31
MMEL1 Q495T6 1/20 0.31
HDAC3 O15379 1/20 0.31
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30
WDR5 P61964 2/20 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
SCHEMBL2104831 0.91 CENPE (0.51) CENPEITGB3ITGAVKIFC1WDR5
SCHEMBL3462732 0.89 CENPE (0.54) CENPEXDHBRD4HDAC1HDAC6
SCHEMBL13162074 0.89 CENPE (0.54) CENPEXDHBRD4HDAC1HDAC6
SCHEMBL3231102 0.86 CENPE (0.51) CENPEITGB3ITGAVKIFC1WDR5
SCHEMBL2104873 0.83 CENPE (0.51) CENPEITGB3ITGAVITGB1ITGA5
SCHEMBL13626786 0.82 CENPE (0.50) CENPEKIFC1PPARGWDR5
SCHEMBL3468364 0.82 CENPE (0.50) CENPEKIFC1PPARGWDR5
SCHEMBL13161714 0.80 CENPE (0.54) CENPEKIFC1
SCHEMBL3228307 0.80 CENPE (0.52) CENPEITGB3ITGAVKIFC1WDR5
SCHEMBL3462435 0.80 CENPE (0.54) CENPEKIFC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. 2009-11-19 US disclosed
US-20080255182-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-10-16 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 (2 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-20080255182-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885ITGB3 4000/4885ITGAV 4397/4885
US-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 CENPE 54/4885ITGB3 4000/4885ITGAV 4397/4885

“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.