SCHEMBL2824693

SCHEMBL2824693

Cc1cn(-c2ccccc2C#N)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
EGLN2 Q96KS0 1/20 0.42
PSEN1 P49768 4/20 0.41
PSEN2 P49810 4/20 0.41
APH1B Q8WW43 4/20 0.41
NCSTN Q92542 4/20 0.41
APH1A Q96BI3 4/20 0.41
PSENEN Q9NZ42 4/20 0.41
CYP2E1 P05181 1/20 0.41
CYP2A6 P11509 1/20 0.41
TSHR P16473 1/20 0.41
NR2E1 Q9Y466 1/20 0.41
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
KCNN4 O15554 1/20 0.36
HTR7 P34969 1/20 0.36
PHGDH O43175 1/20 0.36
SCD O00767 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL2828723 0.81 PSEN1 (0.43) KDM4EPSEN1PSEN2APH1BNCSTN
SCHEMBL15633080 0.80 CYP2E1 (0.47) EGLN2PSEN1PSEN2APH1BNCSTN
SCHEMBL26609245 0.80 PSEN1 (0.36) KDM4EEGLN2PSEN1PSEN2APH1B
SCHEMBL1038927 0.78 KDM4E (0.56) KDM4EPSEN1PSEN2APH1BNCSTN
SCHEMBL2825198 0.78 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2824888 0.78 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2822671 0.78 PSEN1 (0.42) KDM4EPSEN1PSEN2APH1BNCSTN
SCHEMBL1239907 0.78 PSEN1 (0.42) KDM4EPSEN1PSEN2APH1BNCSTN
SCHEMBL29637047 0.78 KDM4E (0.56) KDM4EPSEN1PSEN2APH1BNCSTN
SCHEMBL29563756 0.78 KDM4E (0.38) KDM4ETSHRMAPTSMN1; SMN2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109311878-B Triazolopyridines as gamma-secretase modulators 豪夫迈·罗氏有限公司 2022-05-24 CN claimed
CN-109311878-B Triazolopyridines as gamma-secretase modulators 豪夫迈·罗氏有限公司 2022-05-24 CN disclosed
CN-1738618-B pharmaceutical composition and application thereof EISAI CO LTD 2012-09-26 CN disclosed
CN-101287738-B Imidazo benzodiazepine derivatives HOFFMANN LA ROCHE 2011-08-10 CN disclosed
EP-1937688-B1 IMIDAZO BENZODIAZEPINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-08-11 EP disclosed
CN-101115756-B Tetracyclic imidazo-benzodiazepines as GABA receptor modulators HOFFMANN LA ROCHE 2010-06-16 CN 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
CN-101287738-A Imidazo benzodiazepine derivatives HOFFMANN LA ROCHE (CH) 2008-10-15 CN disclosed
US-7432256-B2 Substitued imidazo [1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives HOFFMAN-LA ROCHE INC. (US) 2008-10-07 US disclosed
EP-1828194-B1 TETRACYCLIC IMIDAZO-BENZODIAZEPINES AS GABA RECEPTORS MODULATORS HOFFMANN LA ROCHE (CH) 2008-05-28 EP disclosed
CN-101115756-A Tetracyclic imidazo-benzodiazepines * as GABA receptor modulators HOFFMANN LA ROCHE (CH) 2008-01-30 CN 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
US-20060128691-A1 Substituted imidazo[1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives HOFFMANN-LA ROCHE INC. 2006-06-15 US disclosed
CN-1245386-C 1, 2-dihydropyridine compound, preparation method and application thereof EISAI CO LTD (JP) 2006-03-15 CN disclosed
CN-1738618-A Pharmaceutical compositions and their uses EISAI CO LTD (JP) 2006-02-22 CN disclosed
CN-1436172-A 1, 2-dihydropyridine compound, preparation method and application thereof EISAI CO LTD (JP) 2003-08-13 CN 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 (2 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-20060128691-A1 Substituted imidazo[1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives GABRA3, GABRA5, GABRA1 KDM4E 1498/4885EGLN2 4406/4885PSEN1 233/4885
US-20070082890-A1 Substituted imidazo-[1,5-a][1,2,4]triazolo[1,5-d][1,4] benzodiazepine derivatives GABRA5, GABRA1, GABRA4 KDM4E 1207/4885EGLN2 4507/4885PSEN1 82/4885

“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.