SCHEMBL7091149

SCHEMBL7091149

CCn1c(=S)c2[nH]c(C(C)C)nc2n(Cc2ccc(Cl)cc2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.41
TLR7 Q9NYK1 5/20 0.41
TLR8 Q9NR97 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
BRD4 O60885 1/20 0.40
BRD2 P25440 1/20 0.40
BRD3 Q15059 1/20 0.40
BRDT Q58F21 1/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.39
XBP1 P17861 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
SCHEMBL7093461 0.95 P2RX3 (0.41) P2RX3TLR7TLR8ADORA2AADORA2B
SCHEMBL7091342 0.94 KDM4E (0.42) P2RX3TLR7TLR8ADORA2AADORA2B
SCHEMBL7091169 0.90 ADORA2B (0.48) ADORA2AADORA2BADORA1ALDH1A1TSHR
SCHEMBL3111144 0.87 ADORA2B (0.48) ADORA2AADORA2BADORA1ALDH1A1TSHR
SCHEMBL3229725 0.86 ADORA2A (0.47) P2RX3ADORA2AADORA2BADORA1
SCHEMBL7955639 0.85 ADORA2A (0.42) TLR7TLR8ADORA2AADORA2BADORA1
SCHEMBL7471255 0.84 SIRT1 (0.46) ADORA2AADORA2BADORA1ALDH1A1TSHR
SCHEMBL7680197 0.81 TLR7 (0.48) P2RX3TLR7TLR8BRD4BRD2
SCHEMBL7953405 0.81 ADORA2A (0.41) TLR7TLR8ADORA2AADORA2BADORA1
SCHEMBL7676540 0.79 BRD4 (0.51) P2RX3TLR7TLR8BRD4BRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799040-B1 TRISUBSTITUTED THIOXANTHINES EURO CELTIQUE SA (LU) 2003-08-20 EP claimed
US-5977119-A Trisubstituted thioxanthines EURO-CELTIQUE, S.A. (LU) 1999-11-02 US claimed
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-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