SCHEMBL441171

SCHEMBL441171

Cc1nc(-c2nc3c(s2)CC(C(=O)NCCN)CC3)c[nH]1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.36
SCN9A Q15858 5/20 0.35
SCN3A Q9NY46 4/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SCN5A Q14524 2/20 0.34
DRD2 P14416 2/20 0.33
HRH2 P25021 2/20 0.33
HRH1 P35367 2/20 0.33
DRD3 P35462 2/20 0.33
HRH4 Q9H3N8 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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) PDK1NPC1KDM4EHPGDHSD17B10
SCHEMBL439305 0.79 CDC7 (0.35) PDK1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL462942 0.76 LIMK1 (0.39) PDK1SCN9ASCN3ASCN5ADRD2
SCHEMBL440402 0.75 DGAT1 (0.44)
SCHEMBL438511 0.75 SMN1; SMN2 (0.39) PDK1NPC1RAB9ASMN1; SMN2DRD2
SCHEMBL3533425 0.64 RAB9A (0.50) PDK1NPC1RAB9ASMN1; SMN2DRD2
SCHEMBL13314816 0.64 RAB9A (0.50) PDK1NPC1RAB9ASMN1; SMN2DRD2
SCHEMBL3538335 0.63 ADRA2A (0.41) PDK1NPC1RAB9ASMN1; SMN2DRD2
SCHEMBL3538338 0.62 RAB9A (0.47) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL13314812 0.62 RAB9A (0.47) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10

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
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 377/4885SCN9A 1557/4885SCN3A 1905/4885

“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.