SCHEMBL404548

SCHEMBL404548

Cc1nc2c3cc(Cl)ccc3[nH]c(=O)n2n1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 7/20 0.80
HSD17B10 Q99714 1/20 0.66
ADORA3 P0DMS8 1/20 0.60
CHEK1 O14757 1/20 0.59
AURKA O14965 1/20 0.59
DAPK3 O43293 1/20 0.59
JAK2 O60674 1/20 0.59
MAP4K4 O95819 1/20 0.59
ABL1 P00519 1/20 0.59
NTRK1 P04629 1/20 0.59
LCK P06239 1/20 0.59
CSF1R P07333 1/20 0.59
RET P07949 1/20 0.59
MET P08581 1/20 0.59
PDGFRB P09619 1/20 0.59
PIM1 P11309 1/20 0.59
FGFR1 P11362 1/20 0.59
PDGFRA P16234 1/20 0.59
PRKACA P17612 1/20 0.59
FLT1 P17948 1/20 0.59

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
SCHEMBL405565 0.89 HAVCR2 (1.00) HAVCR2HSD17B10
SCHEMBL404656 0.86 HAVCR2 (0.75) HAVCR2HSD17B10
SCHEMBL404764 0.83 HAVCR2 (1.00) HAVCR2HSD17B10JAK2NTRK1LCK
SCHEMBL404463 0.83 HAVCR2 (0.71) HAVCR2HSD17B10
SCHEMBL406214 0.83 HAVCR2 (0.81) HAVCR2ADORA3CHEK1AURKADAPK3
SCHEMBL404554 0.83 ADORA3 (0.57) HAVCR2ADORA3CHEK1AURKADAPK3
SCHEMBL406076 0.81 HAVCR2 (0.72) HAVCR2HSD17B10
SCHEMBL404891 0.81 HAVCR2 (0.70) HAVCR2HSD17B10
SCHEMBL405064 0.81 HAVCR2 (0.67) HAVCR2HSD17B10
SCHEMBL11079692 0.80 ADORA3 (0.57) HAVCR2ADORA3CHEK1AURKADAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293730-B2 Substituted imidazo[1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives HOFFMANN-LA ROCHE INC. (US) 2012-10-23 US disclosed
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100075954-A1 SUBSTITUTED IMIDAZO[1,5-A][1,2,4]TRIAZOLO[1,5-D][1,4]BENZODIAZEPINE DERIVATIVES KNUST HENNER 2010-03-25 US disclosed
US-7671048-B2 Substituted imidazo [1,5-a][1,2,4]triazolo[1,5-d][1,4]benzodiazepine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-02 US disclosed
US-7507728-B2 Halogen substituted imidazol[1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-24 US disclosed
EP-1809297-B1 IMIDAZO[1,5A]TRIAZOLO[1,5D]BENZODIAZEPINE DERIVATIVES FOR THE TREATMENT OF COGNITIVE DISORDERS HOFFMANN LA ROCHE (CH) 2008-07-30 EP disclosed
EP-1809297-A1 IMIDAZO[1,5A]TRIAZOLO[1,5D]BENZODIAZEPINE DERIVATIVES FOR THE TREATMENT OF COGNITIVE DISORDERS F. Hoffmann-Roche AG (CH) 2007-07-25 EP disclosed
WO-2006040038-A1 IMIDAZO [1, 5-A]TRIAZOLO[1, 5-D]BENZODIAZEPINE DERIVATIVES FOR THE TREATMENT OF COGNITIVE DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2006-04-20 WO disclosed
US-20060084801-A1 Halogen substituted imidazol[1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-04-20 US disclosed
US-20060079507-A1 Substituted imidazo[1,5-a][1,2,4]triazolo[1,5-d][1,4]benzodiazepine derivatives HOFFMANN-LA ROCHE INC. 2006-04-13 US disclosed
EP-0080176-A1 Triazoloquinazolines, process for their preparation and pharmaceutical compositions containing them BASF Aktiengesellschaft (DE) 1983-06-01 EP 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 (6 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-20060079507-A1 Substituted imidazo[1,5-a][1,2,4]triazolo[1,5-d][1,4]benzodiazepine derivatives GABRA3, GABRA1, OXER1 HAVCR2 2259/4885HSD17B10 448/4885ADORA3 85/4885
US-20060084801-A1 Halogen substituted imidazol[1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives GABRA1, GABRA4, GABRA5 HAVCR2 4379/4885HSD17B10 1169/4885ADORA3 143/4885
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HAVCR2 84/4885HSD17B10 3443/4885ADORA3 277/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HAVCR2 84/4885HSD17B10 3443/4885ADORA3 277/4885
US-20100075954-A1 SUBSTITUTED IMIDAZO[1,5-A][1,2,4]TRIAZOLO[1,5-D][1,4]BENZODIAZEPINE DERIVATIVES GABRA1, GABRA5, ADRA1A HAVCR2 3417/4885HSD17B10 971/4885ADORA3 18/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HAVCR2 84/4885HSD17B10 3443/4885ADORA3 277/4885

“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.