SCHEMBL6656464

SCHEMBL6656464

CCC1CC(=O)N(C(NC(=O)c2ccncc2)c2ccccc2)N=C1c1ccc(OC)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.41
PDE4D Q08499 13/20 0.41
PDE4A P27815 12/20 0.41
PDE4C Q08493 12/20 0.41
PTAFR P25105 1/20 0.37
CHEK1 O14757 1/20 0.37
ROCK2 O75116 1/20 0.37
RPS6KA5 O75582 1/20 0.37
MAP4K4 O95819 1/20 0.37
CHEK2 O96017 1/20 0.37
PRKCG P05129 1/20 0.37
CDK1 P06493 1/20 0.37
PRKACA P17612 1/20 0.37
RPS6KB1 P23443 1/20 0.37
CDK2 P24941 1/20 0.37
MAPK1 P28482 1/20 0.37
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37

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
SCHEMBL6654584 0.95 KMT2A (0.39) PDE4BPDE4DPDE4APDE4C
SCHEMBL6659048 0.95 MAPT (0.38) PDE4BPDE4DPDE4APDE4C
SCHEMBL6842734 0.95 PDE4B (0.37) PDE4BPDE4DPDE4APDE4CCHEK1
SCHEMBL6837334 0.94 PDE4B (0.37) PDE4BPDE4DPDE4APDE4CCHEK1
SCHEMBL6841792 0.94 PDE4B (0.37) PDE4BPDE4DPDE4APDE4CCHEK1
SCHEMBL6841820 0.94 PDE4B (0.37) PDE4BPDE4DPDE4APDE4CCHEK1
SCHEMBL6657834 0.94 PDE4B (0.38) PDE4BPDE4DPDE4APDE4CCHEK1
SCHEMBL6837635 0.93 PDE4B (0.37) PDE4BPDE4DPDE4APDE4CROCK2
SCHEMBL6841687 0.93 PDE4B (0.36) PDE4BPDE4DPDE4APDE4CCHEK1
SCHEMBL6660417 0.93 PDE4A (0.44) PDE4BPDE4DPDE4APDE4C

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.