SCHEMBL2589337

SCHEMBL2589337

COc1ccc(-c2ccc3c(c2)CNC3=O)c(OCC2(C(=O)OCC3CCC3)CCC2)c1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1C Q14123 3/20 0.36
GSK3B P49841 2/20 0.35
POLQ O75417 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP2 O95551 2/20 0.33
MAPKAPK2 P49137 1/20 0.33
PADI4 Q9UM07 2/20 0.32
DAPK3 O43293 1/20 0.32
NTRK1 P04629 1/20 0.32
PIM1 P11309 1/20 0.32
FLT3 P36888 1/20 0.32
ROCK1 Q13464 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
GAA P10253 1/20 0.32
PRKCI P41743 1/20 0.32
PDE4D Q08499 1/20 0.32
LRRK2 Q5S007 1/20 0.32
PDE4B Q07343 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
SCHEMBL2589422 0.98 PDE1C (0.36) PDE1CGSK3BPOLQMEN1KMT2A
SCHEMBL2584258 0.89 PDE4D (0.39) GSK3BPOLQTDP2MAPKAPK2DAPK3
SCHEMBL2591396 0.89 POLQ (0.37) GSK3BPOLQMEN1KMT2ATDP2
SCHEMBL2585152 0.88 POLQ (0.39) GSK3BPOLQTDP2MAPKAPK2DAPK3
SCHEMBL2591320 0.88 PDE4D (0.39) GSK3BPOLQTDP2MAPKAPK2DAPK3
SCHEMBL2581818 0.88 PDE1C (0.35) PDE1CGSK3BPOLQMEN1KMT2A
SCHEMBL2584422 0.88 PDE4D (0.38) GSK3BPOLQTDP2MAPKAPK2DAPK3
SCHEMBL2591677 0.87 POLQ (0.34) GSK3BPOLQTDP2MAPKAPK2DAPK3
SCHEMBL2592921 0.87 PDE4D (0.38) GSK3BPOLQTDP2MAPKAPK2DAPK3
SCHEMBL2591829 0.87 HSD17B1 (0.39) PDE1CMEN1KMT2AGAAPDE4D

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-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 PDE1C 35/4885GSK3B 350/4885POLQ 1717/4885

“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.