SCHEMBL3465879

SCHEMBL3465879

COc1ccc(Cc2cnc(N3CCCCC3C(=O)O)nc2)c(F)c1-c1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 15/20 0.40
PDCD1 Q15116 7/20 0.40
GRM5 P41594 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
NTRK1 P04629 1/20 0.37
CSF1R P07333 1/20 0.37
NTRK2 Q16620 1/20 0.37
SLC6A9 P48067 1/20 0.37

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
SCHEMBL7913230 0.98 GRM5 (0.40) CD274PDCD1GRM5NTRK1CSF1R
SCHEMBL3466350 0.98 GRM5 (0.40) CD274PDCD1GRM5NTRK1CSF1R
SCHEMBL3466229 0.94 GRM5 (0.38) CD274PDCD1GRM5NTRK1CSF1R
SCHEMBL3466742 0.88 ITGB2 (0.40) CD274PDCD1GRM5NTRK1CSF1R
SCHEMBL3466737 0.88 ITGB2 (0.40) CD274PDCD1GRM5NTRK1CSF1R
SCHEMBL3466926 0.88 ITGB2 (0.40) CD274PDCD1GRM5NTRK1CSF1R
SCHEMBL7917999 0.85 CD274 (0.37) CD274PDCD1NTRK1CSF1RNTRK2
SCHEMBL3466221 0.85 GRM5 (0.37) CD274PDCD1GRM5NTRK1CSF1R
SCHEMBL3466246 0.85 GRM5 (0.37) CD274PDCD1GRM5NTRK1CSF1R
SCHEMBL3792867 0.85 GRM5 (0.37) CD274PDCD1GRM5NTRK1CSF1R

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 9 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
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 CD274 2338/4885PDCD1 1474/4885GRM5 2332/4885
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE4A, PDE4B, PDE3B CD274 2338/4885PDCD1 1474/4885GRM5 2332/4885

“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.