SCHEMBL3466274

SCHEMBL3466274

COc1ccc(Cc2cnc(N3CC(C(=O)O)C3)nc2)c(F)c1-c1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.42
S1PR5 Q9H228 3/20 0.42
CD274 Q9NZQ7 6/20 0.40
PDCD1 Q15116 1/20 0.37
GRM5 P41594 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
SLC6A7 Q99884 2/20 0.37
PDE4D Q08499 1/20 0.37
CTSA P10619 3/20 0.37
PDE4B Q07343 2/20 0.36
PDCD1LG2 Q9BQ51 2/20 0.36
PTPN11 Q06124 1/20 0.35

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
SCHEMBL3466918 0.94 NOTUM (0.43) S1PR1S1PR5CD274PDCD1GRM5
SCHEMBL3803858 0.90 PDE4B (0.38) CD274PDCD1SLC6A7PDE4DPDE4B
SCHEMBL3466183 0.88 CD274 (0.39) CD274PDCD1GRM5
SCHEMBL3466229 0.85 GRM5 (0.38) CD274PDCD1GRM5HCRTR1HCRTR2
SCHEMBL3469413 0.84 GRM5 (0.42) S1PR1S1PR5CD274GRM5HCRTR1
SCHEMBL7913230 0.84 GRM5 (0.40) CD274PDCD1GRM5HCRTR1HCRTR2
SCHEMBL3466350 0.84 GRM5 (0.40) CD274PDCD1GRM5HCRTR1HCRTR2
SCHEMBL3465879 0.83 CD274 (0.40) CD274PDCD1GRM5
SCHEMBL4537142 0.81 CD274 (0.43) S1PR1S1PR5CD274PDCD1GRM5
SCHEMBL3468005 0.81 CD274 (0.42) S1PR1S1PR5CD274PDCD1GRM5

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 10 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
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 S1PR1 1807/4885S1PR5 1732/4885CD274 2338/4885
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE4A, PDE4B, PDE3B S1PR1 1807/4885S1PR5 1732/4885CD274 2338/4885

“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.