SCHEMBL3570573

SCHEMBL3570573

O=c1[nH]c2ccc(Br)cc2c2ncnn12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.70
NTRK1 P04629 3/20 0.70
CSF1R P07333 3/20 0.70
RET P07949 3/20 0.70
MET P08581 3/20 0.70
PDGFRB P09619 3/20 0.70
PIM1 P11309 3/20 0.70
FGFR1 P11362 3/20 0.70
PRKACA P17612 3/20 0.70
FLT3 P36888 3/20 0.70
MAPK8 P45983 3/20 0.70
CDK8 P49336 3/20 0.70
GSK3A P49840 3/20 0.70
GSK3B P49841 3/20 0.70
CDK7 P50613 3/20 0.70
CDK9 P50750 3/20 0.70
RPS6KA3 P51812 3/20 0.70
JAK3 P52333 3/20 0.70
MAP2K1 Q02750 3/20 0.70
MST1R Q04912 3/20 0.70

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
SCHEMBL31167562 0.88 RET (0.58) JAK2NTRK1CSF1RRETMET
SCHEMBL8821159 0.88 RET (0.58) JAK2NTRK1CSF1RRETMET
SCHEMBL8860392 0.84 GSK3A (0.72) JAK2NTRK1CSF1RRETMET
SCHEMBL404434 0.82 CHEK1 (1.00) JAK2NTRK1CSF1RRETMET
SCHEMBL8821144 0.82 CHEK1 (0.70) JAK2NTRK1CSF1RRETMET
SCHEMBL8821183 0.79 CHEK1 (0.65) JAK2NTRK1CSF1RRETMET
SCHEMBL8821146 0.79 GSK3B (0.65) JAK2NTRK1CSF1RRETMET
SCHEMBL8821127 0.79 GSK3A (0.65) JAK2NTRK1CSF1RRETMET
SCHEMBL8821175 0.79 CHEK1 (0.65) JAK2NTRK1CSF1RRETMET
SCHEMBL8821160 0.79 AURKA (0.65) JAK2NTRK1CSF1RRETMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805184-B1 IMIDAZO-BENZODIAZEPINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2013-01-09 EP disclosed
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-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-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-7514426-B2 Substituted imidazol[1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives HOFFMAN-LA ROCHE INC. (US) 2009-04-07 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
EP-1807432-A1 HALOGEN SUBSTITUTED BENZODIAZEPINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-07-18 EP disclosed
EP-1805184-A1 IMIDAZO-BENZODIAZEPINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-07-11 EP disclosed
WO-2006045429-A1 HALOGEN SUBSTITUTED BENZODIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-05-04 WO disclosed
WO-2006045430-A1 IMIDAZO-BENZODIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-05-04 WO disclosed
US-20060084642-A1 gamma-aminobutyric acid GABA receptors inverse agonists ; Alzheimer's disease, cognition enhancers; 10-methyl-9H-imidazo[1,5-a][1,2,4]triazolo[1,5-d][1,4]benzodiazepine HOFFMANN-LA ROCHE INC. 2006-04-20 US 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
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-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
US-5631261-A CENTRAL NERVOUS SYSTEM DISORDERS BASF AKTIENGESELLSCHAFT (DE) 1997-05-20 US disclosed
EP-0673377-B1 NEW TRIAZOLOQUINAZOLINES, THEIR PRODUCTION AND THEIR USE BASF AG (DE) 1997-02-26 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 (5 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-20060084642-A1 gamma-aminobutyric acid GABA receptors inverse agonists ; Alzheimer's disease, cognition enhancers; 10-methyl-9H-imidazo[1,5-a][1,2,4]triazolo[1,5-d][1,4]benzodiazepine GABRA3, GABRA1, GABRA4 JAK2 3691/4885NTRK1 95/4885CSF1R 1076/4885
US-20060079507-A1 Substituted imidazo[1,5-a][1,2,4]triazolo[1,5-d][1,4]benzodiazepine derivatives GABRA3, GABRA1, OXER1 JAK2 3134/4885NTRK1 108/4885CSF1R 1618/4885
US-20060084801-A1 Halogen substituted imidazol[1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives GABRA1, GABRA4, GABRA5 JAK2 719/4885NTRK1 610/4885CSF1R 1542/4885
US-20100075954-A1 SUBSTITUTED IMIDAZO[1,5-A][1,2,4]TRIAZOLO[1,5-D][1,4]BENZODIAZEPINE DERIVATIVES GABRA1, GABRA5, ADRA1A JAK2 1470/4885NTRK1 1173/4885CSF1R 1623/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 JAK2 1396/4885NTRK1 488/4885CSF1R 149/4885

“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.