SCHEMBL3937696

SCHEMBL3937696

[CH2]C(=O)N1CCOC(CN(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 10/20 0.44
SCN9A Q15858 1/20 0.37
SLC8A1 P32418 1/20 0.34
CYP19A1 P11511 2/20 0.32
CHEK1 O14757 1/20 0.31
PIM1 P11309 1/20 0.31
PRKACA P17612 1/20 0.31
GRK5 P34947 1/20 0.31
KDR P35968 1/20 0.31
CLK2 P49760 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
CDK7 P50613 1/20 0.31
RPS6KA3 P51812 1/20 0.31
JAK3 P52333 1/20 0.31
PRKCQ Q04759 1/20 0.31
MST1R Q04912 1/20 0.31
TAOK1 Q7L7X3 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
TBK1 Q9UHD2 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
SCHEMBL18125939 0.85 PDK1 (0.45) PDK1SCN9ASLC8A1CYP19A1
SCHEMBL28506422 0.85 PDK1 (0.45) PDK1SCN9ASLC8A1CYP19A1
SCHEMBL23182188 0.85 PDK1 (0.45) PDK1SCN9ASLC8A1CYP19A1KDR
SCHEMBL3982546 0.80 PDK1 (0.59) PDK1SCN9A
SCHEMBL23700662 0.78 USP2 (0.49) PDK1SCN9A
SCHEMBL23700663 0.78 USP2 (0.49) PDK1SCN9A
SCHEMBL5369230 0.77 PDK1 (0.63) PDK1CYP19A1
SCHEMBL30177911 0.77 PDK1 (0.39) PDK1SCN9ASLC8A1
SCHEMBL21580838 0.75 POLB (0.55) PDK1SCN9ASLC8A1
Ethane SCHEMBL28061132 0.72 PDK1 (0.38) PDK1SCN9ASLC8A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044083-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2009-04-08 EP claimed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US claimed
WO-2008008912-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO claimed
WO-2008008907-A2 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO claimed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US claimed
EP-2049536-A2 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. (US) 2009-04-22 EP disclosed
EP-2044083-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2009-04-08 EP disclosed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
US-20080045498-A1 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. 2008-02-21 US disclosed
WO-2008011521-A2 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. (US) 2008-01-24 WO disclosed
WO-2008008907-A2 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO disclosed
WO-2008008912-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO disclosed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US 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 (3 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-20080045498-A1 POLYCYCLIC VIRAL INHIBITORS EIF2AK2, ZC3HAV1, MAVS PDK1 1279/4885SCN9A 3047/4885SLC8A1 4256/4885
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses HAVCR2, ZC3HAV1, SARS1 PDK1 2071/4885SCN9A 4015/4885SLC8A1 4788/4885
US-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 PDK1 1546/4885SCN9A 2977/4885SLC8A1 3881/4885

“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.