SCHEMBL2827052

SCHEMBL2827052

Cc1ccnn1CC(=O)NN

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C19 P33261 1/20 0.57
ALDH1A1 P00352 1/20 0.57
PKM P14618 1/20 0.57
MAPK1 P28482 1/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.50
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
RECQL P46063 1/20 0.42
AOC2 O75106 1/20 0.41
MMP2 P08253 1/20 0.40
NTRK1 P04629 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 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
SCHEMBL12984658 0.80 MAPK1 (0.56) KDM4ECYP1A2CYP2C19ALDH1A1PKM
SCHEMBL2175235 0.78 MAPK1 (0.68) KDM4ECYP1A2CYP2C19ALDH1A1MAPK1
SCHEMBL12646137 0.78 MAPK1 (0.58) KDM4ECYP1A2CYP2C19ALDH1A1MAPK1
SCHEMBL2825509 0.75 KMT2A (0.46) KDM4ECYP1A2ALDH1A1PKMHTT
SCHEMBL27726904 0.74 MAPK1 (0.52) KDM4ECYP1A2CYP2C19ALDH1A1MAPK1
SCHEMBL2823777 0.72 MAPK1 (0.51) KDM4ECYP2C19ALDH1A1MAPK1HTT
SCHEMBL13240613 0.72 MAPK1 (0.51) KDM4ECYP1A2CYP2C19ALDH1A1MAPK1
SCHEMBL14547115 0.71 MAPK1 (0.49) KDM4ECYP1A2CYP2C19ALDH1A1MAPK1
SCHEMBL19457654 0.70 MAPK1 (0.53) KDM4ECYP1A2CYP2C19ALDH1A1MAPK1
SCHEMBL23010482 0.69

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 KDM4E 1207/4885CYP1A2 336/4885CYP2C19 368/4885

“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.