SCHEMBL408331

SCHEMBL408331

CCOC(=O)C1CCc2nc(-c3ccccc3O)sc2C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.59
LIMK1 P53667 1/20 0.45
TRPM8 Q7Z2W7 2/20 0.43
KDM4E B2RXH2 3/20 0.40
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
MAOA P21397 3/20 0.39
MAOB P27338 3/20 0.39
GSK3B P49841 2/20 0.39
CSNK2A1 P68400 2/20 0.39
MAPT P10636 4/20 0.39
HTR2B P41595 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37

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
SCHEMBL1700743 0.78 PDK1 (0.74) PDK1LIMK1KDM4EGSK3BCSNK2A1
SCHEMBL462942 0.77 LIMK1 (0.39) PDK1LIMK1KDM4EHTR2BALDH1A1
SCHEMBL17385025 0.77 PDK1 (0.73) PDK1LIMK1KDM4EGSK3BCSNK2A1
SCHEMBL407322 0.77 PDK1 (0.59) PDK1LIMK1KDM4EGSK3BCSNK2A1
SCHEMBL407323 0.76 PDK1 (0.58) PDK1LIMK1KDM4ECDC7DBF4
SCHEMBL1030772 0.76 PDK1 (0.71) PDK1LIMK1MAPTHTR2BLMNA
SCHEMBL22677886 0.76 PDK1 (0.71) PDK1LIMK1KDM4EGSK3BCSNK2A1
SCHEMBL14311264 0.75 PDK1 (0.60) PDK1LIMK1KDM4EGSK3BCSNK2A1
Bromide SCHEMBL1030770 0.75 PDK1 (0.70) PDK1LIMK1MAPTHTR2BLMNA
SCHEMBL406838 0.74 PDK1 (0.68) PDK1LIMK1KDM4EGSK3BCSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT PDK1 377/4885LIMK1 4784/4885TRPM8 3466/4885

“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.