SCHEMBL537576

SCHEMBL537576

O=C(O)C1CCc2nc(C(F)(F)F)ccc2C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.40
HDAC8 Q9BY41 1/20 0.35
CDK2 P24941 1/20 0.35
FLT3 P36888 1/20 0.35
CCNA1 P78396 1/20 0.35
SORT1 Q99523 2/20 0.33
NOTUM Q6P988 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
CYP1A2 P05177 1/20 0.32
TBXAS1 P24557 1/20 0.32
GCK P35557 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
JAK1 P23458 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
SCHEMBL1107075 1.00 PDK1 (0.40) PDK1HDAC8CDK2FLT3CCNA1
SCHEMBL909762 0.87 PDK1 (0.36) PDK1CDK2FLT3CCNA1CYP1A2
SCHEMBL537597 0.87 PDK1 (0.36) PDK1CDK2FLT3CCNA1CYP1A2
SCHEMBL909084 0.87 PDK1 (0.36) PDK1CDK2FLT3CCNA1CYP1A2
SCHEMBL538258 0.84 PDK1 (0.39) PDK1CYP1A2TBXAS1GCKDRD2
SCHEMBL1107085 0.84 PDK1 (0.39) PDK1CYP1A2TBXAS1GCKDRD2
SCHEMBL537878 0.84 PKM (0.36) PDK1HDAC8HTR2AHTR2CHTR2B
SCHEMBL1107074 0.84 PKM (0.36) PDK1HDAC8HTR2AHTR2CHTR2B
SCHEMBL3661615 0.81 CYP1A2 (0.37) PDK1CYP1A2GCKDRD2DRD3
SCHEMBL1107086 0.81 CYP1A2 (0.37) PDK1CYP1A2GCKDRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153651-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2012-04-10 US disclosed
US-8153651-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2012-04-10 US disclosed
US-8153651-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2012-04-10 US disclosed
EP-2215054-B8 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME EVOTEC AG (DE) 2012-02-08 EP disclosed
EP-2215054-B1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS INC (US) 2011-08-31 EP disclosed
US-20110021514-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2011-01-27 US disclosed
US-20110021514-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2011-01-27 US disclosed
US-20110021514-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2011-01-27 US disclosed
EP-2215054-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2010-08-11 EP disclosed
WO-2009064449-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2009-05-22 WO disclosed
WO-2009064449-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2009-05-22 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-20110021514-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 PDK1 1387/4885HDAC8 796/4885CDK2 3206/4885

“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.