SCHEMBL6849963

SCHEMBL6849963

Nc1ccc(Cn2c(=O)c3cc(Br)ccc3n3c(N4CCCC4)nnc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
MAPK8 P45983 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
TP53 P04637 3/20 0.37
PLK1 P53350 2/20 0.37
NPSR1 Q6W5P4 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6850222 0.91 MAPT (0.44) MAPTL3MBTL1TSHRLMNAALDH1A1
SCHEMBL6855405 0.90 ALDH1A1 (0.48) MAPTL3MBTL1TSHRLMNAALDH1A1
SCHEMBL6850131 0.90 LMNA (0.43) MAPTL3MBTL1TSHRLMNAALDH1A1
SCHEMBL6854439 0.90 MAPT (0.51) MAPTL3MBTL1TSHRLMNAALDH1A1
SCHEMBL6854071 0.90 TP53 (0.41) MAPTL3MBTL1TSHRLMNAALDH1A1
SCHEMBL6850125 0.90 L3MBTL1 (0.48) MAPTL3MBTL1TSHRLMNAALDH1A1
SCHEMBL6850025 0.89 ALDH1A1 (0.47) MAPTL3MBTL1TSHRLMNAALDH1A1
SCHEMBL6850007 0.89 L3MBTL1 (0.47) MAPTL3MBTL1TSHRLMNAALDH1A1
SCHEMBL6854145 0.89 L3MBTL1 (0.47) MAPTL3MBTL1TSHRLMNAALDH1A1
SCHEMBL6854048 0.87 PIK3R1 (0.46) MAPTMAPK8ALDH1A1TP53NPSR1

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-6828315-B1 Anti- inflammatories, anti-allergics, bronchodilatators, anti-asthmatics, or TNF alpha inhibitors WARNER-LAMBERT LLC 2004-12-07 US claimed
EP-1177195-B1 1-AMINO TRIAZOLO 4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER LAMBERT CO (US) 2003-03-19 EP claimed
JP-2002543199-A 2002-12-17 JP claimed
EP-1177195-A1 1-AMINO TRIAZOLO 4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER-LAMBERT COMPANY (US) 2002-02-06 EP claimed
WO-2000066584-A1 1-AMINO TRIAZOLO¢4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER-LAMBERT COMPANY (US) 2000-11-09 WO claimed
US-6828315-B1 Anti- inflammatories, anti-allergics, bronchodilatators, anti-asthmatics, or TNF alpha inhibitors WARNER-LAMBERT LLC 2004-12-07 US disclosed
EP-1177195-B1 1-AMINO TRIAZOLO 4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER LAMBERT CO (US) 2003-03-19 EP disclosed
US-20020119967-A1 Pharmaceutical composition for preventing or treating a disease associated with an excess of IL-12-production WARNER-LAMBERT COMPANY 2002-08-29 US disclosed
WO-2002022112-A9 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING A DISEASE ASSOCIATED WITH AN EXCESS OF IL-12 PRODUCTION WARNER LAMBERT CO (US) 2002-06-06 WO disclosed
EP-1177195-A1 1-AMINO TRIAZOLO 4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER-LAMBERT COMPANY (US) 2002-02-06 EP disclosed
WO-2000066584-A1 1-AMINO TRIAZOLO¢4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER-LAMBERT COMPANY (US) 2000-11-09 WO disclosed