SCHEMBL6659078

SCHEMBL6659078

COc1ccc(C2=NN(Cc3ccccc3NC(=O)c3cnccn3)C(=O)SC2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.48
PDE4A P27815 2/20 0.48
PDE4C Q08493 2/20 0.48
PDE4D Q08499 2/20 0.48
PDE3B Q13370 2/20 0.48
PDE3A Q14432 2/20 0.48
MET P08581 1/20 0.48
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 1/20 0.44
CCR5 P51681 7/20 0.43
GRM4 Q14833 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
CYP1A2 P05177 1/20 0.41

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 0.92 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL144435 0.88 AAK1 (0.51) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6655750 0.88 PDE4B (0.60) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6655148 0.88 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6662174 0.87 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6842665 0.87 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6656468 0.87 KMT2A (0.45) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6655304 0.86 PDE4B (0.62) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6842619 0.86 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6660711 0.85 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 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 4/4885PDE4A 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.