SCHEMBL6842619

SCHEMBL6842619

COc1ccc(C2=NN(Cc3ccccc3NC(=O)c3c[nH]cn3)C(=O)SC2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.46
PDE4A P27815 5/20 0.46
PDE4C Q08493 5/20 0.46
PDE4D Q08499 5/20 0.46
PDE3B Q13370 2/20 0.46
PDE3A Q14432 2/20 0.46
MET P08581 1/20 0.46
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CHEK1 O14757 1/20 0.40
HPGD P15428 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TP53 P04637 1/20 0.40
CFTR P13569 1/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2C19 P33261 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
SCHEMBL6659885 0.89 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6679089 0.88 PDE4B (0.58) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6660711 0.87 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6689185 0.87 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6683886 0.86 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6655148 0.86 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6659078 0.86 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6688488 0.85 PDE4B (0.62) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6663244 0.85 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6657085 0.84 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DPDE3B

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 4 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-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 4/4885PDE4A 1/4885PDE4C 5/4885

“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.