SCHEMBL6655304

SCHEMBL6655304

COc1ccc(C2=NN(Cc3cccc(NC(=O)c4cnccn4)c3)C(=O)SC2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.62
MET P08581 3/20 0.62
PDE4A P27815 2/20 0.62
PDE4C Q08493 2/20 0.62
PDE4D Q08499 2/20 0.62
PDE3B Q13370 2/20 0.62
PDE3A Q14432 2/20 0.62
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.45
TP53 P04637 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
SIRT3 Q9NTG7 1/20 0.45
ACKR3 P25106 1/20 0.45
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL6841783 0.92 PDE4B (0.64) PDE4BMETPDE4APDE4CPDE4D
SCHEMBL6662174 0.92 PDE4B (0.52) PDE4BMETPDE4APDE4CPDE4D
SCHEMBL6659738 0.89 PDE4B (0.66) PDE4BMETPDE4APDE4CPDE4D
SCHEMBL142769 0.88 MET (0.63) PDE4BMETPDE4APDE4CPDE4D
SCHEMBL6656651 0.88 PDE4B (0.62) PDE4BMETPDE4APDE4CPDE4D
SCHEMBL6686835 0.88 PDE4B (0.65) PDE4BMETPDE4APDE4CPDE4D
SCHEMBL6688488 0.87 PDE4B (0.62) PDE4BMETPDE4APDE4CPDE4D
SCHEMBL6837280 0.87 PDE4B (0.47) PDE4BMETPDE4APDE4CPDE4D
SCHEMBL6657302 0.86 PDE4B (0.63) PDE4BMETPDE4APDE4CPDE4D
SCHEMBL7802139 0.86 PDE4B (0.70) PDE4BMETPDE4APDE4CPDE4D

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 4/4885MET 4676/4885PDE4A 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.