SCHEMBL7090590

SCHEMBL7090590

CCn1c(=O)c2[nH]c(C(C)C)nc2n(Cc2ccc(OC)c(OC3CCCC3)c2)c1=O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.60
PDE4A P27815 6/20 0.60
PDE4C Q08493 6/20 0.60
PDE4D Q08499 6/20 0.60
PDE5A O76074 6/20 0.45
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42

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
SCHEMBL7090584 0.92 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL7325107 0.89 PDE5A (0.49) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL7092998 0.85 PDE4B (0.60) PDE4BPDE4APDE4CPDE4D
SCHEMBL7089270 0.84 PDE4B (0.59) PDE4BPDE4APDE4CPDE4D
SCHEMBL6154427 0.84 PDE4B (0.59) PDE4BPDE4APDE4CPDE4D
SCHEMBL1388196 0.82 PDE4A (0.60) PDE4BPDE4APDE4CPDE4D
SCHEMBL7020690 0.81 PDE4A (0.60) PDE4BPDE4APDE4CPDE4D
SCHEMBL7738936 0.79 PDE4A (0.58) PDE4BPDE4APDE4CPDE4D
SCHEMBL6155745 0.79 PDE4A (0.79) PDE4BPDE4APDE4CPDE4D
SCHEMBL7416418 0.77 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DADORA1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799040-A4 TRISUBSTITUTED THIOXANTHINES EURO CELTIQUE SA (LU) 1998-04-01 EP claimed
EP-0799040-A1 TRISUBSTITUTED THIOXANTHINES Euroceltique S.A. (LU) 1997-10-08 EP claimed
WO-1996018400-A1 TRISUBSTITUTED THIOXANTHINES EURO-CELTIQUE, S.A. (LU) 1996-06-20 WO claimed
EP-0799040-B1 TRISUBSTITUTED THIOXANTHINES EURO CELTIQUE SA (LU) 2003-08-20 EP disclosed
US-6268373-B1 ENZYME INHIBITORS EURO-CELTIQUE S.A. (LU) 2001-07-31 US disclosed
US-6248746-B1 PHOSPHODIESTERASE (PDE-IV) INHIBITOR FOR TREATMENT OF ASTHMA, ALLERGIES, ATOPIC DISEASES AND RHINITIS EURO-CELTIQUE S.A. (LU) 2001-06-19 US disclosed
US-6025361-A EFFECTIVE PDE IV INHIBITORS, ASTHMA EURO-CELTIQUE, S.A. (LU) 2000-02-15 US disclosed
US-5977119-A Trisubstituted thioxanthines EURO-CELTIQUE, S.A. (LU) 1999-11-02 US disclosed
EP-0799040-A4 TRISUBSTITUTED THIOXANTHINES EURO CELTIQUE SA (LU) 1998-04-01 EP disclosed
EP-0799040-A1 TRISUBSTITUTED THIOXANTHINES Euroceltique S.A. (LU) 1997-10-08 EP disclosed
WO-1996018400-A1 TRISUBSTITUTED THIOXANTHINES EURO-CELTIQUE, S.A. (LU) 1996-06-20 WO disclosed