SCHEMBL2592115

SCHEMBL2592115

CCCOC(=O)C(C)(C)Oc1c(-c2ccc3c(c2)CNC3=O)ccc(OC)c1OC

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.38
POLQ O75417 1/20 0.37
PRF1 P14222 1/20 0.37
GSK3B P49841 2/20 0.36
DAPK3 O43293 1/20 0.36
NTRK1 P04629 1/20 0.36
PIM1 P11309 1/20 0.36
FLT3 P36888 1/20 0.36
ROCK1 Q13464 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
PRKCI P41743 1/20 0.35
TDP2 O95551 2/20 0.35
BRAF P15056 1/20 0.34
PDE4D Q08499 1/20 0.33
ADORA1 P30542 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
HSD17B1 P14061 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
SCHEMBL2588350 0.95 MAPKAPK2 (0.39) MAPKAPK2POLQPRF1GSK3BDAPK3
SCHEMBL2593195 0.93 POLQ (0.40) MAPKAPK2POLQPRF1GSK3BDAPK3
SCHEMBL2590823 0.88 POLQ (0.42) MAPKAPK2POLQPRF1GSK3BDAPK3
SCHEMBL14736777 0.88 POLQ (0.38) MAPKAPK2POLQPRF1GSK3BDAPK3
SCHEMBL14737905 0.88 MAPKAPK2 (0.40) MAPKAPK2POLQPRF1GSK3BDAPK3
SCHEMBL2592152 0.87 PRKCI (0.36) MAPKAPK2POLQPRF1GSK3BDAPK3
SCHEMBL2584286 0.86 MAPKAPK2 (0.37) MAPKAPK2POLQPRF1GSK3BDAPK3
SCHEMBL2584109 0.85 POLQ (0.38) MAPKAPK2POLQPRF1GSK3BDAPK3
SCHEMBL2593293 0.85 HSD17B1 (0.43) PDE4DADORA1CNR1CNR2HSD17B1
SCHEMBL14737272 0.85 MAPKAPK2 (0.39) MAPKAPK2POLQPRF1GSK3BDAPK3

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 MAPKAPK2 2431/4885POLQ 1717/4885PRF1 3550/4885

“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.