SCHEMBL6850006

SCHEMBL6850006

Cc1ccc2c(c1)c(=O)n(Cc1ccccc1)c1nnc(N3CCSCC3)n21

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
LMNA P02545 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
HTT P42858 2/20 0.47
PLK1 P53350 2/20 0.44
TSHR P16473 2/20 0.43
HSD17B10 Q99714 1/20 0.43
TP53 P04637 2/20 0.43
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL6850305 0.91 MAPT (0.55) MAPTLMNAL3MBTL1ALDH1A1KDM4E
SCHEMBL6855314 0.90 MAPT (0.54) MAPTLMNAL3MBTL1ALDH1A1KDM4E
SCHEMBL6849975 0.90 MAPT (0.46) MAPTLMNAL3MBTL1ALDH1A1KDM4E
SCHEMBL6855397 0.88 L3MBTL1 (0.46) MAPTLMNAL3MBTL1ALDH1A1KDM4E
SCHEMBL7532984 0.85 MAPT (0.49) MAPTLMNAL3MBTL1ALDH1A1KDM4E
SCHEMBL6858348 0.82 MAPT (0.48) MAPTLMNAL3MBTL1ALDH1A1KDM4E
SCHEMBL6853754 0.82 MAPT (0.54) MAPTLMNAL3MBTL1ALDH1A1KDM4E
SCHEMBL6854190 0.81 MAPT (0.48) MAPTLMNAL3MBTL1ALDH1A1KDM4E
SCHEMBL6855386 0.81 MAPT (0.44) MAPTLMNAL3MBTL1ALDH1A1KDM4E
SCHEMBL6854127 0.80 MAPT (0.43) MAPTLMNAL3MBTL1ALDH1A1KDM4E

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 9 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
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