SCHEMBL7683789

SCHEMBL7683789

CCn1c(=O)[nH]c(=S)c2[nH]c(Cc3ccc(OC)c(OC4CCCC4)c3)nc21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.45
PDE4A P27815 7/20 0.42
PDE4C Q08493 7/20 0.42
PDE4D Q08499 7/20 0.42
PDE3A Q14432 1/20 0.40
POLB P06746 1/20 0.39
CCNE2 O96020 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
PDE5A O76074 1/20 0.39

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
SCHEMBL7031616 0.91 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL7025270 0.88 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL7032889 0.82 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL7673588 0.81 PDE5A (0.47) POLBCCNE2CDK4CCND1CCNE1
SCHEMBL7089270 0.80 PDE4B (0.59) PDE4BPDE4APDE4CPDE4D
SCHEMBL7423652 0.77 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DPDE3A
SCHEMBL7676935 0.77 PDE4B (0.48) PDE4BPDE4APDE4CPDE4D
SCHEMBL7090584 0.73 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DPDE5A
SCHEMBL6673654 0.73 PDE4B (0.43) PDE4BPDE4APDE4CPDE4D
SCHEMBL1388196 0.73 PDE4A (0.60) PDE4BPDE4APDE4CPDE4D

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
US-6090816-A ANTIASTHMA AGENTS EURO-CELTIQUE S.A. (LU) 2000-07-18 US claimed
US-6066641-A PHOSPHODIESTERASES AS MOLECULAR TARGETS FOR ANTI-ASTHMATIC AGENTS EURO-CELTIQUE S.A. (LU) 2000-05-23 US claimed
EP-0814809-A4 ARYL THIOXANTHINES EURO CELTIQUE SA (LU) 1998-04-01 EP claimed
EP-0814809-A1 ARYL THIOXANTHINES Euroceltique S.A. (LU) 1998-01-07 EP claimed
WO-1996018399-A1 ARYL THIOXANTHINES EURO-CELTIQUE, S.A. (LU) 1996-06-20 WO claimed
US-6440979-B1 Aryl isoguanines EURO-CELTIQUE, S.A. (LU) 2002-08-27 US disclosed
US-6090816-A ANTIASTHMA AGENTS EURO-CELTIQUE S.A. (LU) 2000-07-18 US disclosed
US-6066641-A PHOSPHODIESTERASES AS MOLECULAR TARGETS FOR ANTI-ASTHMATIC AGENTS EURO-CELTIQUE S.A. (LU) 2000-05-23 US disclosed
EP-0814809-A4 ARYL THIOXANTHINES EURO CELTIQUE SA (LU) 1998-04-01 EP disclosed
EP-0814809-A1 ARYL THIOXANTHINES Euroceltique S.A. (LU) 1998-01-07 EP disclosed
WO-1996018399-A1 ARYL THIOXANTHINES EURO-CELTIQUE, S.A. (LU) 1996-06-20 WO disclosed