SCHEMBL2589708

SCHEMBL2589708

COCC1(COc2c(-c3ccc4c(c3)CNC4=O)ccc(OC)c2OC)COC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.40
DAPK3 O43293 1/20 0.40
NTRK1 P04629 1/20 0.40
PIM1 P11309 1/20 0.40
FLT3 P36888 1/20 0.40
ROCK1 Q13464 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
TDP2 O95551 2/20 0.39
MAPKAPK2 P49137 1/20 0.38
PRKCI P41743 1/20 0.37
BRAF P15056 1/20 0.35
POLQ O75417 1/20 0.35
PRF1 P14222 3/20 0.34
ADORA1 P30542 1/20 0.34
TBK1 Q9UHD2 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVR1 Q04771 1/20 0.33
LRRK2 Q5S007 1/20 0.33

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
SCHEMBL2592837 0.91 TDP2 (0.38) GSK3BDAPK3NTRK1PIM1FLT3
SCHEMBL2583644 0.91 GSK3B (0.39) GSK3BDAPK3NTRK1PIM1FLT3
SCHEMBL7714379 0.89 GSK3B (0.39) GSK3BDAPK3NTRK1PIM1FLT3
SCHEMBL2594611 0.86 POLQ (0.36) GSK3BDAPK3NTRK1PIM1FLT3
SCHEMBL2593124 0.83 MAPKAPK2 (0.45) GSK3BDAPK3NTRK1PIM1FLT3
SCHEMBL2584274 0.83 PRF1 (0.42) PRF1
SCHEMBL2591246 0.83 GSK3B (0.36) GSK3BDAPK3NTRK1PIM1FLT3
SCHEMBL7716524 0.82 MAPKAPK2 (0.38) GSK3BDAPK3NTRK1PIM1FLT3
SCHEMBL2591027 0.81 GSK3B (0.43) GSK3BDAPK3NTRK1PIM1FLT3
SCHEMBL2588771 0.81 GSK3B (0.37) GSK3BDAPK3NTRK1PIM1FLT3

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 14 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-A1 BIARYL PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2013-03-06 EP claimed
WO-2011134468-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2011-11-03 WO claimed
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 350/4885DAPK3 1367/4885NTRK1 4833/4885

“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.