SCHEMBL14736679

SCHEMBL14736679

COc1ccc(-c2ccc3c(c2)CNC3=O)c(OCCOC(=O)CCSC)c1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.36
TDP2 O95551 2/20 0.36
MAPKAPK2 P49137 1/20 0.35
GSK3B P49841 2/20 0.35
DAPK3 O43293 1/20 0.35
NTRK1 P04629 1/20 0.35
PIM1 P11309 1/20 0.35
FLT3 P36888 1/20 0.35
ROCK1 Q13464 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
PRKCI P41743 1/20 0.34
PRF1 P14222 1/20 0.34
ADORA1 P30542 1/20 0.33
BRAF P15056 1/20 0.33
TSHR P16473 2/20 0.33
FFAR4 Q5NUL3 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2C P18825 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 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
SCHEMBL2593176 0.90 PRKCI (0.38) POLQTDP2MAPKAPK2GSK3BDAPK3
SCHEMBL2591158 0.88 PDE4A (0.37) POLQTDP2MAPKAPK2GSK3BDAPK3
SCHEMBL2581828 0.88 GSK3B (0.39) POLQTDP2MAPKAPK2GSK3BDAPK3
SCHEMBL14737062 0.88 PDE4A (0.36) POLQTDP2MAPKAPK2GSK3BDAPK3
SCHEMBL2583854 0.86 POLQ (0.40) POLQTDP2MAPKAPK2GSK3BDAPK3
SCHEMBL2589537 0.85 HSD17B1 (0.40) ADORA1
SCHEMBL14736569 0.85 POLQ (0.37) POLQTDP2MAPKAPK2GSK3BDAPK3
SCHEMBL14736742 0.85 POLQ (0.37) POLQTDP2MAPKAPK2GSK3BDAPK3
SCHEMBL2584978 0.85 POLQ (0.35) POLQTDP2MAPKAPK2GSK3BDAPK3
SCHEMBL14736858 0.85 GSK3B (0.38) POLQTDP2MAPKAPK2GSK3BDAPK3

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 7 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

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 1717/4885TDP2 54/4885MAPKAPK2 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.