SCHEMBL6673809

SCHEMBL6673809

COc1ccc(Cn2c(N)c(NC(=O)C(C)(C)OCc3ccc(F)cc3)c(=O)[nH]c2=S)cc1OC1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 17/20 0.39
PDE4D Q08499 15/20 0.39
PDE4A P27815 14/20 0.39
PDE4C Q08493 14/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL6675416 0.94 KDM4E (0.43) PDE4BPDE4DPDE4APDE4CKDM4E
SCHEMBL6677308 0.94 PDE4A (0.42) PDE4BPDE4DPDE4APDE4CRXFP1
SCHEMBL6679248 0.91 MEN1 (0.43) MEN1KMT2ARXFP1KDM4EUSP2
SCHEMBL6673141 0.87 PDE4B (0.44) PDE4BPDE4DPDE4APDE4CKDM4E
SCHEMBL6675937 0.84 ALDH1A1 (0.51) MEN1KMT2ARXFP1KDM4EUSP2
SCHEMBL6673145 0.82 ALDH1A1 (0.47) MEN1KMT2ARXFP1KDM4EUSP2
SCHEMBL7026709 0.82 PDE4B (0.41) PDE4BPDE4DPDE4APDE4CKDM4E
SCHEMBL8409717 0.77 KDM4E (0.46) PDE4BPDE4DPDE4APDE4CMEN1
SCHEMBL6673366 0.77 PDE4B (0.48) PDE4BPDE4DPDE4APDE4C
SCHEMBL6673641 0.77 PDE4A (0.48) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202628-B1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2004-10-13 EP disclosed
EP-1169321-A4 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY EURO CELTIQUE SA (LU) 2002-10-30 EP disclosed
EP-1202628-A4 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2002-10-30 EP disclosed
US-6413975-B1 DISEASES WITH HIGH LEVELS OF INFLAMMATORY CYTOKINES; ASTHMA; ALLERGIES; INFLAMMATION; DEPRESSION; ALZHEIMER'S DISEASE; VASCULAR AND MULTI-IN-FARCT DEMENTIA EURO-CELTIQUE, S.A. (LU) 2002-07-02 US disclosed
EP-1202628-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS Euro-Celtique S.A. (LU) 2002-05-08 EP disclosed
EP-1169321-A2 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY Euro-Celtique S.A. (LU) 2002-01-09 EP disclosed
WO-2001011967-A1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO-CELTIQUE S.A. (LU) 2001-02-22 WO disclosed
WO-2000059449-A2 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY EURO-CELTIQUE S.A. (LU) 2000-10-12 WO disclosed