SCHEMBL6676076

SCHEMBL6676076

CCc1nc2c([nH]1)c(=O)[nH]c(=S)n2CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
HTT P42858 1/20 0.38
ADORA2A P29274 5/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
SIRT3 Q9NTG7 1/20 0.37
SIRT5 Q9NXA8 1/20 0.37
ADORA1 P30542 4/20 0.37
ADORA3 P0DMS8 2/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ADORA2B P29275 3/20 0.35

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
SCHEMBL538418 0.84 ADORA2A (0.54) HPGDHTTADORA2APDE4APDE4B
SCHEMBL7028788 0.84 ADORA1 (0.39) HPGDHTTADORA2ASIRT2SIRT1
SCHEMBL7468034 0.79 SIRT1 (0.48) HPGDADORA2ASIRT2SIRT1SIRT3
SCHEMBL9706596 0.78 ADORA2A (0.41) HPGDHTTADORA2APDE4APDE4B
SCHEMBL7424268 0.78 SIRT1 (0.50) HPGDADORA2ASIRT2SIRT1SIRT3
SCHEMBL7469763 0.76 ADORA1 (0.40) HPGDHTTADORA2ASIRT2SIRT1
SCHEMBL4623457 0.75 ADORA2A (0.59) HPGDADORA2APDE4APDE4BPDE4C
SCHEMBL4796596 0.73 PDE1A (0.46) HPGDADORA2APDE4APDE4BPDE4C
SCHEMBL11020666 0.73 ADORA2A (0.42) HPGDADORA2APDE4APDE4BPDE4C
SCHEMBL4626790 0.73 ADORA2A (0.58) HPGDADORA2APDE4APDE4BPDE4C

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 19 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-0916673-B1 6-Amino purine derivatives having PDE-IV inhibition activity EURO CELTIQUE SA (LU) 2003-01-29 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
CN-1377353-A Purine derivatives having phosphodiesterase IN inhibition activity EURO CELTIQUE SA (LU) 2002-10-30 CN 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
US-6319928-B1 ASTHMA, ALLERGIES, INFLAMMATION,DEPRESSION, DEMENTIA, ALZHEIMER'S DISEASE, VASCULAR AND MULTI-IN-FARCT DEMENTIA AND DISEASE CAUSED BY HUMAN IMMUNODEFICIENCY VIRUS TREATMENT; EFFICIENCY AND SELECTIVITY EURO-CELTIQUE, S.A. (LU) 2001-11-20 US disclosed
US-6294541-B1 ENZYME INHIBITORS USING PURINE COMPOUNDS AS ANTIHISTAMINES EURO-CELTIQUE S.A. (LU) 2001-09-25 US 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
CN-1045778-C Novel chemical compounds having PDE-IV inhibition activity EURO CELTIQUE SA (LU) 1999-10-20 CN disclosed
US-5939422-A AN ENZYME INHIBITOR AS BRONCHODILATOR, RELAXANTS, ANTIINFLAMMATORY AGENT FOR TREATING ASTHMA, ALLERGIES, INFLAMMATION, DEPRESSION, DEMENTIA, DISEASES ASSOCIATED WITH ABNORMAL HIGH LEVEL OF CYTOKINE EURO-CELTIQUE, S.A. (LU) 1999-08-17 US disclosed
EP-0916673-A1 6-Amino purine derivatives having PDE-IV inhibition activity Euroceltique S.A. (LU) 1999-05-19 EP disclosed
EP-0916672-A1 6-Amino purine derivatives having PDE-IV inhibition activity and intermediates Euroceltique S.A. (LU) 1999-05-19 EP disclosed
CN-1125445-A Novel compounds having P.DE-IV inhibitory activity EURO CELTIQUE SA (LU) 1996-06-26 CN disclosed
EP-0705265-A1 NOVEL CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITION ACTIVITY Euroceltique S.A. (LU) 1996-04-10 EP disclosed
WO-1995000516-A1 NOVEL CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITION ACTIVITY EURO-CELTIQUE S.A. (LU) 1995-01-05 WO disclosed