SCHEMBL3557732

SCHEMBL3557732

Cc1nc2n(C)c3ccccc3n2c(=O)c1CCO

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.56
ADORA2B P29275 2/20 0.45
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 2/20 0.41
MAPT P10636 1/20 0.41
ADORA2A P29274 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
EGFR P00533 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
SCHEMBL13317093 0.87 ADORA1 (0.57) ADORA1ADORA2BKDM4EALDH1A1L3MBTL1
SCHEMBL13317080 0.79 ADORA1 (0.66) ADORA1ADORA2BKDM4EALDH1A1L3MBTL1
SCHEMBL636328 0.77 ADORA1 (0.62) ADORA1ADORA2BKDM4EALDH1A1L3MBTL1
SCHEMBL3548318 0.75 KMT2A (0.47) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL9801808 0.74 KDM4E (0.40) KDM4EALDH1A1GAAMAPT
SCHEMBL13317101 0.72 ADORA1 (0.46) ADORA1ADORA2BKDM4EALDH1A1L3MBTL1
SCHEMBL3521123 0.71 KDM4E (0.44) KDM4EALDH1A1L3MBTL1GAAMAPT
SCHEMBL19233749 0.69 ADORA1 (0.51) ADORA1ADORA2BKDM4EALDH1A1L3MBTL1
SCHEMBL11825494 0.69 ADORA1 (0.55) ADORA1ADORA2BKDM4EALDH1A1GAA
SCHEMBL9424995 0.69 KDM4E (0.41) KDM4EALDH1A1L3MBTL1GAAMAPT

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 15 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-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
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
EP-1451196-B1 The use of substituted tetracyclic imidazole derivatives as anti-histaminics JANSSEN PHARMACEUTICA NV (BE) 2007-08-15 EP disclosed
US-20050070525-A1 Use of anti-histaminics for acute reduction of elevated intracranial pressure JANSSEN-CILAG GMBH (DE) 2005-03-31 US disclosed
EP-1451196-A1 THE USE OF ANTI-HISTAMINICS FOR ACUTE REDUCTION OF ELEVATED INTRACRANIAL PRESSURE JANSSEN PHARMACEUTICA N.V. (BE) 2004-09-01 EP disclosed
US-20040167138-A1 Novel substituted tetracyclic imidazole derivatives, processes for their preparation, pharamaceutical compositions comprising them and their use as a medicine JANSSEN PHARMACEUTICA N.V. (BE) 2004-08-26 US disclosed
EP-1401838-A2 NOVEL SUBSTITUTED TETRACYCLIC IMIDAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. (BE) 2004-03-31 EP disclosed
WO-2003044023-A1 THE USE OF ANTI-HISTAMINICS FOR ACUTE REDUCTION OF ELEVATED INTRACRANIAL PRESSURE JANSSEN PHARMACEUTICA N.V. (BE) 2003-05-30 WO disclosed
WO-2002100862-A2 NOVEL SUBSTITUTED TETRACYCLIC IMIDAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. (BE) 2002-12-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050070525-A1 Use of anti-histaminics for acute reduction of elevated intracranial pressure HRH2, HRH3, HRH4 ADORA1 96/4885ADORA2B 63/4885KDM4E 3457/4885
US-20040167138-A1 Novel substituted tetracyclic imidazole derivatives, processes for their preparation, pharamaceutical compositions comprising them and their use as a medicine AIFM1, PTGIS, ATP6V1B2 ADORA1 1511/4885ADORA2B 1156/4885KDM4E 4219/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.