SCHEMBL2581818

SCHEMBL2581818

COc1ccc(-c2ccc3c(c2)CNC3=O)c(OC2(C(=O)OCC3CCC3)CC2)c1OC

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE1C Q14123 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GSK3B P49841 2/20 0.35
POLQ O75417 1/20 0.35
TDP2 O95551 2/20 0.34
MAPKAPK2 P49137 1/20 0.34
DAPK3 O43293 1/20 0.33
NTRK1 P04629 1/20 0.33
PIM1 P11309 1/20 0.33
FLT3 P36888 1/20 0.33
ROCK1 Q13464 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
GAA P10253 1/20 0.33
PADI4 Q9UM07 2/20 0.33
PDE4D Q08499 1/20 0.33
LRRK2 Q5S007 1/20 0.33
PRF1 P14222 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
SCHEMBL2591998 0.97 POLQ (0.37) PDE1CMEN1KMT2AGSK3BPOLQ
SCHEMBL2591843 0.89 PDE4D (0.41) GSK3BPOLQTDP2MAPKAPK2DAPK3
SCHEMBL17613994 0.88 POLQ (0.39) GSK3BPOLQMAPKAPK2DAPK3NTRK1
SCHEMBL2589337 0.88 PDE1C (0.36) PDE1CMEN1KMT2AGSK3BPOLQ
SCHEMBL2589179 0.88 GSK3B (0.39) GSK3BPOLQTDP2MAPKAPK2DAPK3
SCHEMBL2588720 0.87 PDE4D (0.41) GSK3BPOLQTDP2MAPKAPK2DAPK3
SCHEMBL2589422 0.87 PDE1C (0.36) PDE1CMEN1KMT2AGSK3BPOLQ
SCHEMBL2591562 0.86 HSD17B1 (0.40) PDE1CMEN1KMT2AGAAPDE4D
SCHEMBL2592614 0.86 PDE4D (0.39) GSK3BPOLQTDP2MAPKAPK2DAPK3
SCHEMBL2593296 0.86 TDP2 (0.40) GSK3BPOLQTDP2MAPKAPK2DAPK3

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 35/4885MEN1 3420/4885KMT2A 2533/4885

“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.