SCHEMBL2593622

SCHEMBL2593622

COC(=O)COc1c(-c2cccc3c2CNC3=O)ccc(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.41
ROCK2 O75116 4/20 0.41
RPS6KB1 P23443 4/20 0.41
ROCK1 Q13464 4/20 0.41
TAOK1 Q7L7X3 4/20 0.41
HIPK4 Q8NE63 4/20 0.41
AURKB Q96GD4 4/20 0.41
PLK4 O00444 3/20 0.41
NTRK1 P04629 3/20 0.41
MET P08581 3/20 0.41
EPHA2 P29317 3/20 0.41
FLT4 P35916 3/20 0.41
FLT3 P36888 3/20 0.41
NTRK2 Q16620 3/20 0.41
ALK Q9UM73 3/20 0.41
MAP4K4 O95819 3/20 0.41
LCK P06239 3/20 0.41
RET P07949 3/20 0.41
BLK P51451 3/20 0.41
STK3 Q13188 3/20 0.41

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
SCHEMBL2591337 0.93 KDR (0.40) KDRROCK2RPS6KB1ROCK1TAOK1
SCHEMBL2587932 0.91 KDR (0.39) KDRROCK2RPS6KB1ROCK1TAOK1
SCHEMBL2591838 0.90 HDAC4 (0.37) KDRROCK2RPS6KB1ROCK1TAOK1
SCHEMBL2595302 0.89 HDAC4 (0.41) KDRROCK2RPS6KB1ROCK1TAOK1
SCHEMBL2590593 0.89 HDAC4 (0.37) KDRROCK2RPS6KB1ROCK1TAOK1
SCHEMBL2593048 0.88 KDR (0.36) KDRROCK2RPS6KB1ROCK1TAOK1
SCHEMBL2589484 0.88 KDR (0.38) KDRROCK2RPS6KB1ROCK1TAOK1
SCHEMBL2591886 0.88 KDR (0.38) KDRROCK2RPS6KB1ROCK1TAOK1
SCHEMBL2593120 0.87 ALDH1A1 (0.39) KDRROCK2RPS6KB1ROCK1TAOK1
SCHEMBL2584279 0.87 KDR (0.36) KDRROCK2RPS6KB1ROCK1TAOK1

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 KDR 1971/4885ROCK2 56/4885RPS6KB1 3406/4885

“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.