SCHEMBL2593409

SCHEMBL2593409

COc1ccc(-c2cccc3c2CNC3=O)c(OCC2(C(=O)OCCCF)CC2)c1OC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.33
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
ROCK1 Q13464 3/20 0.32
PLK4 O00444 2/20 0.32
ROCK2 O75116 2/20 0.32
NTRK1 P04629 2/20 0.32
MET P08581 2/20 0.32
ROS1 P08922 2/20 0.32
RPS6KB1 P23443 2/20 0.32
EPHA2 P29317 2/20 0.32
AXL P30530 2/20 0.32
FLT4 P35916 2/20 0.32
FLT3 P36888 2/20 0.32
FRK P42685 2/20 0.32
NTRK2 Q16620 2/20 0.32
TAOK1 Q7L7X3 2/20 0.32
HIPK4 Q8NE63 2/20 0.32
AURKB Q96GD4 2/20 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
SCHEMBL2589456 0.97 KDR (0.32) KDRHDAC4HDAC2HDAC8ROCK1
SCHEMBL2584712 0.91 KDR (0.34) KDRHDAC4HDAC2HDAC8ROCK1
SCHEMBL2593067 0.89 L3MBTL1 (0.39) KDRHDAC4HDAC2HDAC8ROCK1
SCHEMBL2584260 0.88 KDR (0.39) KDRHDAC4HDAC2HDAC8ROCK1
SCHEMBL2589687 0.87 ALDH1A1 (0.34) KDRHDAC4HDAC2HDAC8ROCK1
SCHEMBL2587683 0.86 KDR (0.34) KDRHDAC4HDAC2HDAC8ROCK1
SCHEMBL2583911 0.86 KDR (0.34) KDRHDAC4HDAC2HDAC8ROCK1
SCHEMBL14737682 0.86 ALDH1A1 (0.42) HDAC4HDAC2HDAC8L3MBTL1FFAR4
SCHEMBL2588531 0.85 PDE4D (0.37) HDAC4HDAC2HDAC8L3MBTL1FFAR4
SCHEMBL2592146 0.85 L3MBTL1 (0.38) KDRHDAC4HDAC2HDAC8ROCK1

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 10 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
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 KDR 1971/4885HDAC4 105/4885HDAC2 77/4885

“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.