SCHEMBL3465778

SCHEMBL3465778

COC(=O)CN(C(C)=O)c1ccc(Cc2ccc(OC)c(-c3cccc(Cl)c3)c2F)cn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
THRB P10828 1/20 0.40
PDE4D Q08499 2/20 0.38
FBP1 P09467 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
SMPD1 P17405 1/20 0.36
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
PDE4B Q07343 4/20 0.35
VEGFA P15692 1/20 0.35
FLT1 P17948 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.35
CTSA P10619 3/20 0.34
CNR2 P34972 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL4530661 0.93 MAPT (0.38) MAPTTHRBPDE4DFBP1TDP1
SCHEMBL4537370 0.85 PDE4D (0.40) MAPTTHRBPDE4DFBP1TDP1
SCHEMBL3467814 0.84 MAPT (0.39) MAPTTHRBPDE4DFBP1TDP1
SCHEMBL4323960 0.84 PDE4B (0.41) MAPTTHRBPDE4DPDE4B
SCHEMBL3467841 0.84 SLC6A9 (0.39) MAPTTHRBPDE4DHCRTR1HCRTR2
SCHEMBL4336293 0.83 PDE4D (0.41) MAPTTHRBPDE4DFBP1HCRTR1
SCHEMBL3476910 0.82 PDE4D (0.40) MAPTTHRBPDE4DFBP1HCRTR1
SCHEMBL3467149 0.81 PDE4D (0.43) MAPTTHRBPDE4DFBP1HCRTR1
SCHEMBL3795483 0.81 PDE4B (0.39) MAPTTHRBPDE4DPDE4B
SCHEMBL3465800 0.81 PDE4D (0.42) PDE4DFBP1HCRTR1HCRTR2PDE4B

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
EP-2628727-A2 Biaryl PDE4 inhibitors for treating pulmonary and cardiovascular disorders Decode Genetics EHF (IS) 2013-08-21 EP disclosed
EP-2628727-A2 Biaryl PDE4 inhibitors for treating pulmonary and cardiovascular disorders Decode Genetics EHF (IS) 2013-08-21 EP disclosed
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DeCODE Genetics enf (IS) 2012-08-23 US disclosed
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DeCODE Genetics enf (IS) 2012-08-23 US disclosed
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DeCODE Genetics enf (IS) 2012-08-23 US disclosed
EP-2222639-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS Decode Genetics EHF (IS) 2010-09-01 EP disclosed
US-20090136473-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 US disclosed
US-20090136473-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 US disclosed
US-20090136473-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 US disclosed
WO-2009067621-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed
WO-2009067621-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 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 (2 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-20090136473-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE4A, PDE4B, PDE3B MAPT 4316/4885THRB 3357/4885PDE4D 7/4885
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE4A, PDE4B, PDE3B MAPT 4316/4885THRB 3357/4885PDE4D 7/4885

“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.