SCHEMBL2591998

SCHEMBL2591998

COc1ccc(-c2ccc3c(c2)CNC3=O)c(OC2(C(=O)OCC3CC3)CC2)c1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.37
GSK3B P49841 2/20 0.36
TDP2 O95551 2/20 0.35
MAPKAPK2 P49137 1/20 0.35
PADI4 Q9UM07 4/20 0.35
PRKACA P17612 1/20 0.35
PRKACG P22612 1/20 0.35
PRKACB P22694 1/20 0.35
DAPK3 O43293 1/20 0.34
NTRK1 P04629 1/20 0.34
PIM1 P11309 1/20 0.34
FLT3 P36888 1/20 0.34
ROCK1 Q13464 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
PRF1 P14222 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE1C Q14123 1/20 0.33
BRAF P15056 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
SCHEMBL2581818 0.97 PDE1C (0.35) POLQGSK3BTDP2MAPKAPK2PADI4
SCHEMBL17613994 0.91 POLQ (0.39) POLQGSK3BMAPKAPK2PADI4PRKACA
SCHEMBL2589179 0.89 GSK3B (0.39) POLQGSK3BTDP2MAPKAPK2DAPK3
SCHEMBL2592614 0.88 PDE4D (0.39) POLQGSK3BTDP2MAPKAPK2DAPK3
SCHEMBL2593296 0.87 TDP2 (0.40) POLQGSK3BTDP2MAPKAPK2DAPK3
SCHEMBL2584640 0.87 PDE4D (0.40) POLQGSK3BTDP2MAPKAPK2DAPK3
SCHEMBL2591843 0.86 PDE4D (0.41) POLQGSK3BTDP2MAPKAPK2DAPK3
SCHEMBL2588720 0.86 PDE4D (0.41) POLQGSK3BTDP2MAPKAPK2DAPK3
SCHEMBL2586295 0.86 PDE4D (0.41) POLQGSK3BTDP2MAPKAPK2DAPK3
SCHEMBL2586423 0.86 HSD17B1 (0.39) MEN1KMT2APDE1C

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 POLQ 1717/4885GSK3B 350/4885TDP2 54/4885

“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.