SCHEMBL2591859

SCHEMBL2591859

COc1ccc(-c2ccc3c(c2)CNC3=O)c(OCC2CCC2)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.40
MAPKAPK2 P49137 1/20 0.40
DAPK3 O43293 1/20 0.40
NTRK1 P04629 1/20 0.40
PIM1 P11309 1/20 0.40
FLT3 P36888 1/20 0.40
ROCK1 Q13464 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
PRKCI P41743 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
POLQ O75417 1/20 0.38
TDP2 O95551 2/20 0.38
LRRK2 Q5S007 1/20 0.37
COL1A1 P02452 1/20 0.37
BRAF P15056 1/20 0.37
FABP4 P15090 1/20 0.36
PDE4B Q07343 1/20 0.36

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
SCHEMBL17599586 0.96 GSK3B (0.41) GSK3BMAPKAPK2DAPK3NTRK1PIM1
SCHEMBL2588354 0.89 GSK3B (0.39) GSK3BMAPKAPK2DAPK3NTRK1PIM1
SCHEMBL2591668 0.86 GSK3B (0.36) GSK3BMAPKAPK2DAPK3NTRK1PIM1
SCHEMBL2589422 0.85 PDE1C (0.36) GSK3BMAPKAPK2DAPK3NTRK1PIM1
SCHEMBL2592264 0.84 POLQ (0.41) GSK3BMAPKAPK2DAPK3NTRK1PIM1
SCHEMBL2589337 0.84 PDE1C (0.36) GSK3BMAPKAPK2DAPK3NTRK1PIM1
SCHEMBL2584286 0.84 MAPKAPK2 (0.37) GSK3BMAPKAPK2DAPK3NTRK1PIM1
SCHEMBL2593124 0.84 MAPKAPK2 (0.45) GSK3BMAPKAPK2DAPK3NTRK1PIM1
SCHEMBL2591027 0.84 GSK3B (0.43) GSK3BMAPKAPK2DAPK3NTRK1PIM1
SCHEMBL2590021 0.83 GSK3B (0.40) GSK3BMAPKAPK2DAPK3NTRK1PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563770-B1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2016-03-23 EP claimed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US claimed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 US claimed
EP-2563770-A1 BIARYL PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2013-03-06 EP claimed
WO-2011134468-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2011-11-03 WO claimed
EP-2563770-B1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2016-03-23 EP disclosed
EP-2563770-B1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2016-03-23 EP disclosed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US disclosed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US disclosed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US disclosed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 US disclosed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 US disclosed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 US disclosed
EP-2563770-A1 BIARYL PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2013-03-06 EP disclosed
WO-2011134468-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2011-11-03 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-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS PDE3B, PDE3A, PDE4A GSK3B 350/4885MAPKAPK2 2431/4885DAPK3 1367/4885

“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.