SCHEMBL2830066

SCHEMBL2830066

COCc1nc2c3cc(Br)ccc3[nH]c(=O)n2n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.67
PAK4 O96013 1/20 0.67
NTRK1 P04629 1/20 0.67
LCK P06239 1/20 0.67
FYN P06241 1/20 0.67
CSF1R P07333 1/20 0.67
RET P07949 1/20 0.67
MET P08581 1/20 0.67
PDGFRB P09619 1/20 0.67
PIM1 P11309 1/20 0.67
FGFR1 P11362 1/20 0.67
PRKACA P17612 1/20 0.67
GRK5 P34947 1/20 0.67
MAP2K2 P36507 1/20 0.67
FLT3 P36888 1/20 0.67
MAPK8 P45983 1/20 0.67
CDK8 P49336 1/20 0.67
GSK3A P49840 1/20 0.67
GSK3B P49841 1/20 0.67
CDK7 P50613 1/20 0.67

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
SCHEMBL2824269 0.86 ADORA3 (0.54) JAK2PAK4NTRK1LCKFYN
SCHEMBL11085956 0.84 JAK2 (0.67) JAK2PAK4NTRK1LCKFYN
SCHEMBL404764 0.80 HAVCR2 (1.00) JAK2PAK4NTRK1LCKFYN
SCHEMBL22987488 0.76 KDM4E (0.72) JAK2PAK4NTRK1LCKFYN
SCHEMBL11083501 0.74 HAVCR2 (0.67) JAK2PAK4NTRK1LCKFYN
SCHEMBL11080162 0.74 HAVCR2 (0.66) JAK2PAK4NTRK1LCKFYN
SCHEMBL11085925 0.73 JAK2 (0.51) JAK2PAK4NTRK1LCKFYN
SCHEMBL11083808 0.72 JAK2 (0.55) JAK2PAK4NTRK1LCKFYN
SCHEMBL404554 0.72 ADORA3 (0.57) JAK2PAK4NTRK1LCKFYN
SCHEMBL11088253 0.70 JAK2 (0.53) JAK2PAK4NTRK1LCKFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937688-B1 IMIDAZO BENZODIAZEPINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-08-11 EP disclosed
US-7507729-B2 for the treatment of cognitive disorders, anxiety, schizophrenia, and Alzheimer's disease; ligands; GABA A alpha 5 receptor inhibitors; 3-bromo-10-chloro-6-(2-oxo-pyrrolidin-1-ylmethyl)-9H-imidazo[1,5-a][1,2,4]triazolo[1,5-d][1,4]benzodiazepine HOFFMANN-LA ROCHE INC. (US) 2009-03-24 US disclosed
EP-1937688-A1 IMIDAZO BENZODIAZEPINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-07-02 EP disclosed
WO-2007042421-A1 IMIDAZO BENZODIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-19 WO disclosed
US-20070082890-A1 Substituted imidazo-[1,5-a][1,2,4]triazolo[1,5-d][1,4] benzodiazepine derivatives BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2007-04-12 US 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 (1 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-20070082890-A1 Substituted imidazo-[1,5-a][1,2,4]triazolo[1,5-d][1,4] benzodiazepine derivatives GABRA5, GABRA1, GABRA4 JAK2 3415/4885PAK4 3259/4885NTRK1 141/4885

“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.