SCHEMBL408718

SCHEMBL408718

CCOC(=O)C1CCc2nc(C(C)C)ncc2C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.47
LIMK1 P53667 1/20 0.40
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.34
POLB P06746 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
SCHEMBL27366654 0.75 PDK1 (0.51) PDK1LIMK1PIK3R1PIK3CAMAPK1
SCHEMBL27366669 0.74 PDK1 (0.50) PDK1LIMK1TSHRKMT2AALDH1A1
SCHEMBL2878655 0.73 DRD2 (0.49) PDK1LIMK1ALOX15MAPK1KMT2A
SCHEMBL12844417 0.72 FYN (0.34) KDM4E
SCHEMBL1107076 0.71 PDK1 (0.47) PDK1LIMK1TSHRKMT2AALDH1A1
SCHEMBL537662 0.71 PDK1 (0.47) PDK1LIMK1TSHRKMT2AALDH1A1
SCHEMBL9954136 0.71 GRM5 (0.54) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL23395233 0.71
SCHEMBL406838 0.71 PDK1 (0.68) PDK1LIMK1PIK3R1PIK3CAKMT2A
SCHEMBL29852360 0.71 PDK1 (0.41) PDK1LIMK1GABRG2GABRB3GABRA5

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-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
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 4784/4885PIK3R1 3619/4885

“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.