SCHEMBL2592836

SCHEMBL2592836

COCC(C)(C)COc1c(-c2ccc3c(c2)CNC3=O)ccc(OC)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.40
FLT3 P36888 2/20 0.40
MAPKAPK2 P49137 1/20 0.40
DAPK3 O43293 1/20 0.40
NTRK1 P04629 1/20 0.40
PIM1 P11309 1/20 0.40
ROCK1 Q13464 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
PRKCI P41743 1/20 0.39
TDP2 O95551 2/20 0.38
BRAF P15056 2/20 0.37
POLQ O75417 1/20 0.36
PRF1 P14222 1/20 0.36
ADORA1 P30542 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
AKT1 P31749 1/20 0.35
TGFBR1 P36897 1/20 0.34
ACVR1 Q04771 1/20 0.34
PLK4 O00444 1/20 0.34
AURKA O14965 1/20 0.34

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
SCHEMBL2584273 0.91 MAPKAPK2 (0.39) GSK3BFLT3MAPKAPK2DAPK3NTRK1
SCHEMBL2591435 0.90 GSK3B (0.42) GSK3BFLT3MAPKAPK2DAPK3NTRK1
SCHEMBL2593124 0.86 MAPKAPK2 (0.45) GSK3BFLT3MAPKAPK2DAPK3NTRK1
SCHEMBL2594193 0.85 POLQ (0.37) GSK3BFLT3MAPKAPK2DAPK3NTRK1
SCHEMBL2584358 0.85 POLQ (0.39) GSK3BFLT3MAPKAPK2DAPK3NTRK1
SCHEMBL2593343 0.85 PRKCI (0.41) GSK3BFLT3MAPKAPK2DAPK3NTRK1
SCHEMBL2589137 0.84 GSK3B (0.40) GSK3BFLT3MAPKAPK2DAPK3NTRK1
SCHEMBL2593136 0.84 SYK (0.40) TDP2ADORA1
SCHEMBL2591027 0.84 GSK3B (0.43) GSK3BFLT3MAPKAPK2DAPK3NTRK1
SCHEMBL2591921 0.83 POLQ (0.39) GSK3BFLT3MAPKAPK2DAPK3NTRK1

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 13 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 claimed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US claimed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 US claimed
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 GSK3B 350/4885FLT3 2525/4885MAPKAPK2 2431/4885

“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.