SCHEMBL2831032

SCHEMBL2831032

Cn1ccc(C(=O)NN)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.51
RAB9A P51151 9/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
HPGD P15428 1/20 0.51
LMNA P02545 3/20 0.50
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
TP53 P04637 1/20 0.49
PKM P14618 1/20 0.48
KDM4E B2RXH2 2/20 0.47
MAPT P10636 1/20 0.47
GFER P55789 1/20 0.47
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.45

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
SCHEMBL1780214 0.82 NPC1 (0.53) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL3293979 0.81 NPC1 (0.49) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL20191100 0.78 RAB9A (0.60) NPC1RAB9ASMN1; SMN2HPGDLMNA
SCHEMBL12448172 0.78 RAB9A (0.50) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL2757973 0.78 NPC1 (0.49) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL169063 0.78
SCHEMBL26704152 0.78 NPC1 (0.46) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL27326239 0.77 SMN1; SMN2 (0.50) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL23366938 0.77 TSHR (0.50) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL12988500 0.77 P2RX7 (0.41) NPC1RAB9ASMN1; SMN2POLBALDH1A1

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4126869-B1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAMS HOFFMANN LA ROCHE (CH) 2024-06-05 EP disclosed
US-20240002393-A1 SUBSTITUTED BENZO[f][l ,2,4JTRIAZOL0[4,3-a][l ,4JDIAZEPINES AS GABA A GAMMA! POSITIVE ALLOSTERIC MODULATORS HOFFMANN-LA ROCHE INC. (US) 2024-01-04 US disclosed
US-11739095-B2 Substituted benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepines as GABA A GAMMA1 positive allosteric modulators HOFFMANN-LA ROCHE INC. (US) 2023-08-29 US disclosed
US-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2023-04-13 US disclosed
EP-4126869-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAMS F. Hoffmann-La Roche AG (CH) 2023-02-08 EP disclosed
CN-115380034-A Benzodiazepine derivatives as GABA a γ 1 PAM 豪夫迈·罗氏有限公司 2022-11-22 CN disclosed
EP-4013508-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES Bayer Aktiengesellschaft (DE) 2022-06-22 EP disclosed
CN-114466850-A [1,2,4] triazolo [1,5-C ] quinazolin-5-amines 拜耳股份有限公司 2022-05-10 CN disclosed
WO-2021198124-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAMS F. HOFFMANN-LA ROCHE AG (CH) 2021-10-07 WO disclosed
US-20210309664-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM HOFFMANN-LA ROCHE INC. (US) 2021-10-07 US disclosed
WO-2013166276-A1 TRIAZOLOPYRIDAZINE COMPOUNDS, USE AS INHIBITORS OF THE KINASE LRRK2, AND METHODS FOR PREPARATION THEREOF SOUTHERN RESEARCH INSTITUTE (US) 2013-11-07 WO disclosed
US-8501946-B2 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine derivatives as P2X7 modulators GLAXO GROUP LIMITED (GB) 2013-08-06 US disclosed
US-20120157436-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2012-06-21 US 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
EP-1853595-A1 (1,5-DIPHENYL-1H-PYRAZOL-3-YL)OXADIAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2007-11-14 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
WO-2006087480-A1 (1,5-DIPHENYL-1H-PYRAZOL-3-YL)OXADIAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2006-08-24 WO 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 (6 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-20210309664-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM GABRA1, GABRB1, GABRG1 NPC1 1733/4885RAB9A 2210/4885SMN1; SMN2 2671/4885
US-11739095-B2 Substituted benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepines as GABA A GAMMA1 positive allosteric modulators GABRA1, GABRB1, GABRG1 NPC1 3598/4885RAB9A 924/4885SMN1; SMN2 3050/4885
US-20240002393-A1 SUBSTITUTED BENZO[f][l ,2,4JTRIAZOL0[4,3-a][l ,4JDIAZEPINES AS GABA A GAMMA! POSITIVE ALLOSTERIC MODULATORS GABRA4, GABRB1, GABRB3 NPC1 4491/4885RAB9A 904/4885SMN1; SMN2 3323/4885
US-20070082890-A1 Substituted imidazo-[1,5-a][1,2,4]triazolo[1,5-d][1,4] benzodiazepine derivatives GABRA5, GABRA1, GABRA4 NPC1 680/4885RAB9A 1475/4885SMN1; SMN2 2359/4885
US-20120157436-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS P2RX7, P2RX6, P2RX3 NPC1 1405/4885RAB9A 2017/4885SMN1; SMN2 2910/4885
US-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES AHR, HRH4, HRH1 NPC1 1806/4885RAB9A 902/4885SMN1; SMN2 4234/4885

“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.