SCHEMBL2591046

SCHEMBL2591046

COc1ccc(-c2ccc3c(c2)CNC3=O)c(OCC2(C(=O)OC(C)(C)C#N)CC2)c1OC

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
PRF1 P14222 3/20 0.33
TDP2 O95551 2/20 0.33
MAPKAPK2 P49137 1/20 0.33
GSK3B P49841 2/20 0.33
DAPK3 O43293 1/20 0.32
NTRK1 P04629 1/20 0.32
PIM1 P11309 1/20 0.32
FLT3 P36888 1/20 0.32
ROCK1 Q13464 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
PRKCI P41743 1/20 0.32
CTSC P53634 2/20 0.31
CTSK P43235 1/20 0.31
GRM5 P41594 1/20 0.31
BRAF P15056 1/20 0.31

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
SCHEMBL2588558 0.97 POLQ (0.33) POLQJAK2JAK1PRF1TDP2
SCHEMBL2591397 0.87 POLQ (0.40) POLQPRF1TDP2MAPKAPK2GSK3B
SCHEMBL2589497 0.87 TUBB4A (0.38) JAK2JAK1GPR119
SCHEMBL2586322 0.86 POLQ (0.35) POLQPRF1TDP2MAPKAPK2GSK3B
SCHEMBL2584394 0.85 PDE4D (0.44) PRF1
SCHEMBL2591133 0.85 POLQ (0.38) POLQPRF1TDP2MAPKAPK2GSK3B
SCHEMBL2592621 0.84 KDR (0.33) NTRK1PIM1FLT3ROCK1CLK4
SCHEMBL2589398 0.84 POLQ (0.35) POLQPRF1TDP2MAPKAPK2GSK3B
SCHEMBL2592943 0.84 PDE4D (0.37) POLQPRF1TDP2MAPKAPK2GSK3B
SCHEMBL2585152 0.84 POLQ (0.39) POLQPRF1TDP2MAPKAPK2GSK3B

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 POLQ 1717/4885JAK2 1280/4885JAK1 1468/4885

“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.