SCHEMBL6688488

SCHEMBL6688488

COc1ccc(C2=NN(Cc3cccc(NC(=O)c4c[nH]cn4)c3)C(=O)SC2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.62
PDE4D Q08499 5/20 0.62
PDE4A P27815 4/20 0.62
PDE4C Q08493 4/20 0.62
MET P08581 3/20 0.62
PDE3B Q13370 2/20 0.62
PDE3A Q14432 2/20 0.62
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CFTR P13569 2/20 0.39
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL6683886 0.92 PDE4B (0.51) PDE4BPDE4DPDE4APDE4CMET
SCHEMBL6675664 0.88 PDE4B (0.61) PDE4BPDE4DPDE4APDE4CMET
SCHEMBL6841783 0.88 PDE4B (0.64) PDE4BPDE4DPDE4APDE4CMET
SCHEMBL6657302 0.87 PDE4B (0.63) PDE4BPDE4DPDE4APDE4CMET
SCHEMBL6842638 0.87 PDE4B (0.47) PDE4BPDE4DPDE4APDE4CMET
SCHEMBL6655304 0.87 PDE4B (0.62) PDE4BPDE4DPDE4APDE4CMET
SCHEMBL6659738 0.86 PDE4B (0.66) PDE4BPDE4DPDE4APDE4CMET
SCHEMBL6841568 0.86 PDE4B (0.45) PDE4BPDE4DPDE4APDE4CMET
SCHEMBL7800598 0.85 PDE4B (0.70) PDE4BPDE4DPDE4APDE4CMET
SCHEMBL7802139 0.85 PDE4B (0.70) PDE4BPDE4DPDE4APDE4CMET

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040235845-A1 Use of phosphodiesterase iv inhibitors MERCK PATENT GESSELSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2004-11-25 US disclosed
EP-1435958-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GmbH (DE) 2004-07-14 EP disclosed
WO-2003032993-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GMBH (DE) 2003-04-24 WO disclosed
EP-0763534-B1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GMBH (DE) 2003-02-26 EP disclosed
US-5859008-A Arylalkyl diazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-01-12 US disclosed
EP-0763534-A1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GmbH (DE) 1997-03-19 EP 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-20040235845-A1 Use of phosphodiesterase iv inhibitors PDE4A, PDE3A, PDE3B PDE4B 4/4885PDE4D 12/4885PDE4A 1/4885

“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.