SCHEMBL2827910

SCHEMBL2827910

CC(C(=O)NN)c1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MPO P05164 1/20 0.47
CYP1A2 P05177 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2A6 P11509 1/20 0.47
ROCK2 O75116 2/20 0.45
ROCK1 Q13464 2/20 0.45
CYP19A1 P11511 1/20 0.44
FFAR2 O15552 1/20 0.43
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CTSD P07339 1/20 0.41
MDM2 Q00987 1/20 0.41
LMNA P02545 2/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL6266741 0.80 CTSD (0.64) POLBL3MBTL1CTSDLMNAPTGS2
SCHEMBL30838563 0.79 RAB9A (0.47) CYP3A4KDM4ECYP1A2CYP19A1POLB
Hydrochloric Acid SCHEMBL1533249 0.78 CTSD (0.62) POLBALDH1A1L3MBTL1CTSDLMNA
Hydrochloric Acid SCHEMBL1533250 0.78 CTSD (0.62) POLBALDH1A1L3MBTL1CTSDLMNA
SCHEMBL5739656 0.78 MAPT (0.51) CYP3A4MPOALDH1A1CTSDSMN1; SMN2
Hydrochloric Acid SCHEMBL1533490 0.78 CTSD (0.62) POLBALDH1A1L3MBTL1CTSDLMNA
SCHEMBL2371076 0.78 EPHX1 (0.53) CYP3A4CYP2C19CYP1A2ROCK2ROCK1
SCHEMBL7767500 0.78 EPHX1 (0.53) CYP3A4CYP2C19CYP1A2ROCK2ROCK1
SCHEMBL9111312 0.77 CYP19A1 (0.50) CYP3A4CYP2C19CYP1A2ROCK2ROCK1
SCHEMBL5739780 0.77 ALDH1A1 (0.57) KDM4EALDH1A1L3MBTL1CTSDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024071629-A1 NOVEL FLUORENE DERIVATIVE COMPOUND AND USE THEREOF (주)제이디바이오사이언스 2024-04-04 WO disclosed
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 CYP3A4 205/4885CYP2C19 368/4885KDM4E 1207/4885

“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.