SCHEMBL6842268

SCHEMBL6842268

COc1ccc(C2=NN(CCc3ccc(NC(=O)c4ccno4)cc3)C(=O)SC2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.46
MET P08581 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
FLT1 P17948 1/20 0.42
KDR P35968 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
XBP1 P17861 1/20 0.41
PPARG P37231 1/20 0.41
NCOA2 Q15596 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
SCHEMBL6690959 0.92 PDE4B (0.52) PDE4BMETPDE4APDE4CPDE4D
SCHEMBL6677072 0.88 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL6655596 0.87 TSHR (0.52) PDE4BMETPDE4APDE4CPDE4D
SCHEMBL6842307 0.87 FLT1 (0.44) PDE4BFLT1KDRMEN1KMT2A
SCHEMBL6690356 0.87 LMNA (0.50) PDE4BMETPDE4APDE4CPDE4D
SCHEMBL6655224 0.87 PDE4B (0.48) PDE4BMETPDE4APDE4CPDE4D
SCHEMBL6654814 0.86 PDE4B (0.47) PDE4BMETPDE4APDE4CPDE4D
SCHEMBL7798666 0.86 PDE4B (0.54) PDE4BMETPDE4APDE4CPDE4D
SCHEMBL7801804 0.86 PDE4B (0.50) PDE4BMETPDE4APDE4CPDE4D
SCHEMBL7792970 0.86 CYP1A2 (0.55) 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 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 4/4885MET 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.