SCHEMBL407323

SCHEMBL407323

CCOC(=O)C1CCc2nc(-c3cnccn3)sc2C1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.58
CDC7 O00311 2/20 0.51
DBF4 Q9UBU7 2/20 0.51
LIMK1 P53667 1/20 0.45
GAA P10253 1/20 0.39
HTT P42858 2/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 0.37
HRH3 Q9Y5N1 3/20 0.36
MKNK1 Q9BUB5 1/20 0.36
GSK3B P49841 1/20 0.35
CSNK2A1 P68400 1/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL407322 0.80 PDK1 (0.59) PDK1LIMK1HSD17B10ALDH1A1KDM4E
SCHEMBL439305 0.78 CDC7 (0.35) PDK1CDC7DBF4LIMK1HTT
SCHEMBL1700743 0.77 PDK1 (0.74) PDK1LIMK1GAAHTTRECQL
SCHEMBL17385025 0.76 PDK1 (0.73) PDK1LIMK1GAARECQLHSD17B10
SCHEMBL408331 0.76 PDK1 (0.59) PDK1CDC7DBF4LIMK1HSD17B10
SCHEMBL22677886 0.75 PDK1 (0.71) PDK1LIMK1GAARECQLHSD17B10
SCHEMBL1030772 0.75 PDK1 (0.71) PDK1LIMK1GAAHTTHSD17B10
SCHEMBL14311264 0.74 PDK1 (0.60) PDK1LIMK1ALDH1A1KDM4EGSK3B
Bromide SCHEMBL1030770 0.74 PDK1 (0.70) PDK1LIMK1GAAHTTHSD17B10
SCHEMBL406838 0.73 PDK1 (0.68) PDK1LIMK1GAARECQLHSD17B10

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 377/4885CDC7 3124/4885DBF4 2251/4885

“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.