SCHEMBL406838

SCHEMBL406838

CCOC(=O)C1CCc2nc(C(C)C)sc2C1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.68
LIMK1 P53667 1/20 0.46
LMNA P02545 2/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PARP1 P09874 1/20 0.36
ALDH1A1 P00352 2/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GSK3B P49841 1/20 0.35
CSNK2A1 P68400 1/20 0.35
MAPT P10636 2/20 0.35
MKNK1 Q9BUB5 1/20 0.35
TP53 P04637 1/20 0.34
P2RX3 P56373 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 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
SCHEMBL1700743 0.84 PDK1 (0.74) PDK1LIMK1LMNANPC1RAB9A
SCHEMBL17385025 0.83 PDK1 (0.73) PDK1LIMK1LMNANPC1RAB9A
SCHEMBL22677886 0.82 PDK1 (0.71) PDK1LIMK1LMNANPC1RAB9A
SCHEMBL1030772 0.82 PDK1 (0.71) PDK1LIMK1LMNAMAPTGAA
Bromide SCHEMBL1030770 0.81 PDK1 (0.70) PDK1LIMK1LMNAMAPTGAA
SCHEMBL12680627 0.80 PDK1 (0.68) PDK1LIMK1NPC1RAB9ASMN1; SMN2
SCHEMBL1032199 0.78 PDK1 (0.65) PDK1LIMK1LMNANPC1RAB9A
Bromide SCHEMBL3055052 0.77 PDK1 (0.64) PDK1LIMK1LMNANPC1RAB9A
SCHEMBL1030466 0.77 PDK1 (0.64) PDK1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL3537067 0.77 PDK1 (0.64) PDK1LIMK1NPC1RAB9ASMN1; SMN2

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 4784/4885LMNA 4016/4885

“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.