SCHEMBL2590953

SCHEMBL2590953

COc1ccc(-c2ccc3c(c2)CNC3=O)c(OCC2(OC(=O)C3CCOCC3)CC2)c1OC

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.38
POLQ O75417 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
MAPK1 P28482 2/20 0.33
TDP2 O95551 2/20 0.33
MAPKAPK2 P49137 1/20 0.33
PRF1 P14222 4/20 0.33
PDE4D Q08499 1/20 0.33
BRAF P15056 1/20 0.33
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
GPR84 Q9NQS5 1/20 0.32
PRKCI P41743 1/20 0.32
LRRK2 Q5S007 1/20 0.32

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
SCHEMBL2588884 0.94 GSK3B (0.43) GSK3BPOLQTDP2MAPKAPK2PRF1
SCHEMBL2592063 0.93 GSK3B (0.39) GSK3BPOLQTDP2MAPKAPK2PRF1
SCHEMBL14734840 0.93 GSK3B (0.39) GSK3BPOLQTDP2MAPKAPK2PRF1
SCHEMBL17613955 0.92 GSK3B (0.38) GSK3BPOLQTBK1MAPK1MAPKAPK2
SCHEMBL2592783 0.92 GSK3B (0.39) GSK3BPOLQTDP2MAPKAPK2PRF1
SCHEMBL14734791 0.87 HSD17B1 (0.37) GSK3BPDE4DGPR84
SCHEMBL14734732 0.86 POLQ (0.38) GSK3BPOLQTDP2MAPKAPK2PRF1
SCHEMBL14736943 0.86 PDE4D (0.45) PDE4D
SCHEMBL2588132 0.86 GSK3B (0.39) GSK3BPOLQTBK1MAPK1TDP2
SCHEMBL14740560 0.85 GSK3B (0.37) GSK3BPOLQTDP2MAPKAPK2PRF1

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 GSK3B 350/4885POLQ 1717/4885TBK1 1514/4885

“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.