SCHEMBL2823223

SCHEMBL2823223

CC(C(=O)NN)n1cncn1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MEN1 O00255 1/20 0.35
CYP19A1 P11511 2/20 0.35
CYP26A1 O43174 4/20 0.34
CYP3A4 P08684 2/20 0.34
PDE4D Q08499 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
EGLN3 Q9H6Z9 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL29429636 0.79 CYP19A1 (0.38) KMT2AMAPTHSP90AA1MEN1CYP19A1
SCHEMBL7197056 0.77 MAPT (0.42) KMT2AMAPTHSP90AA1MEN1CYP19A1
SCHEMBL9366536 0.77 CYP19A1 (0.39) KMT2AMAPTHSP90AA1CYP19A1CYP26A1
SCHEMBL2830866 0.76 PDE4D (0.39) KMT2AMAPTHSP90AA1MEN1CYP19A1
SCHEMBL9747750 0.73 MAPT (0.52) KMT2AMAPTHSP90AA1MEN1CYP19A1
SCHEMBL7104933 0.73 MAPT (0.39) KMT2AMAPTHSP90AA1MEN1CYP19A1
SCHEMBL10709771 0.70 MAPT (0.43) KMT2AMAPTHSP90AA1MEN1CYP19A1
SCHEMBL10361017 0.70 ALDH1A1 (0.46) KMT2AMAPTHSP90AA1MEN1CYP19A1
SCHEMBL2825464 0.69 RXFP1 (0.39) LMNAPOLBALDH1A1
SCHEMBL9795396 0.68 CYP19A1 (0.49) KMT2AMAPTHSP90AA1MEN1CYP19A1

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 KMT2A 1642/4885MAPT 348/4885HSP90AA1 1998/4885

“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.