SCHEMBL13317080

SCHEMBL13317080

Cc1nc2n(C)c3ccccc3n2c(=O)c1C

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.66
ADORA2B P29275 2/20 0.51
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ADORA2A P29274 1/20 0.46
EGFR P00533 1/20 0.41
ADORA3 P0DMS8 2/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 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
SCHEMBL636328 0.84 ADORA1 (0.62) ADORA1ADORA2BKDM4EALDH1A1L3MBTL1
SCHEMBL15623910 0.82 ADORA1 (0.47) ADORA1ADORA2BKDM4EALDH1A1L3MBTL1
SCHEMBL13317093 0.80 ADORA1 (0.57) ADORA1ADORA2BKDM4EALDH1A1L3MBTL1
SCHEMBL13317079 0.80 POLB (0.48) ADORA1ADORA2BKDM4EALDH1A1
SCHEMBL13317113 0.79 ADORA1 (0.46) ADORA1ADORA2BKDM4EALDH1A1L3MBTL1
SCHEMBL3557732 0.79 ADORA1 (0.56) ADORA1ADORA2BKDM4EALDH1A1L3MBTL1
SCHEMBL13317101 0.79 ADORA1 (0.46) ADORA1ADORA2BKDM4EALDH1A1L3MBTL1
SCHEMBL14447461 0.77 ALDH1A1 (0.46) ADORA1KDM4EALDH1A1ADORA2AGAA
SCHEMBL13317100 0.77 TOP2A (0.47) ADORA1ADORA2BKDM4EALDH1A1L3MBTL1
SCHEMBL19233749 0.76 ADORA1 (0.51) ADORA1ADORA2BKDM4EALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401838-B1 NOVEL SUBSTITUTED TETRACYCLIC IMIDAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE AS A MEDICINE JANSSEN PHARMACEUTICA NV (BE) 2014-03-26 EP disclosed
US-7732437-B2 Use of anti-histaminics for acute reduction of elevated intracranial pressure JANSSEN PHARMACEUTICA, NV. (BE) 2010-06-08 US disclosed
US-7732437-B2 Use of anti-histaminics for acute reduction of elevated intracranial pressure JANSSEN PHARMACEUTICA, NV. (BE) 2010-06-08 US disclosed
US-7476662-B2 Substituted tetracyclic imidazole derivatives, processes for their preparation, pharmaceutical compositions comprising them and their use as a medicine JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-13 US disclosed
US-7476662-B2 Substituted tetracyclic imidazole derivatives, processes for their preparation, pharmaceutical compositions comprising them and their use as a medicine JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-13 US disclosed
EP-1451196-B1 The use of substituted tetracyclic imidazole derivatives as anti-histaminics JANSSEN PHARMACEUTICA NV (BE) 2007-08-15 EP disclosed