SCHEMBL4592497

SCHEMBL4592497

Cc1cn(-c2c(F)cccc2C#N)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 1/20 0.39
GRM5 P41594 1/20 0.38
CYP2E1 P05181 1/20 0.38
CYP2A6 P11509 1/20 0.38
PSEN1 P49768 4/20 0.38
PSEN2 P49810 4/20 0.38
APH1B Q8WW43 4/20 0.38
NCSTN Q92542 4/20 0.38
APH1A Q96BI3 4/20 0.38
PSENEN Q9NZ42 4/20 0.38
KCNH2 Q12809 2/20 0.38
KCNA5 P22460 1/20 0.38
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
TSHR P16473 1/20 0.33
EED O75530 1/20 0.33
SUZ12 Q15022 1/20 0.33
EZH2 Q15910 1/20 0.33

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
SCHEMBL27962043 0.82 CYP2E1 (0.38) NR2E1CYP2E1CYP2A6PSEN1PSEN2
SCHEMBL4593385 0.79 NR2E1 (0.39) NR2E1CYP2E1CYP2A6PSEN1PSEN2
SCHEMBL2824331 0.77 KDM4E (0.44) CYP2E1CYP2A6PSEN1PSEN2APH1B
SCHEMBL2824693 0.75 KDM4E (0.50) NR2E1CYP2E1CYP2A6PSEN1PSEN2
SCHEMBL22199045 0.73 USP30 (0.47) NR2E1CYP2E1CYP2A6EGLN2USP30
SCHEMBL27543302 0.73 PSEN1 (0.40) NR2E1CYP2E1CYP2A6PSEN1PSEN2
SCHEMBL2824888 0.71 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9227194 0.71 EGLN2 (0.39) NR2E1GRM5CYP2E1CYP2A6PSEN1
SCHEMBL14704080 0.70 CYP2E1 (0.49) NR2E1CYP2E1CYP2A6PSEN1PSEN2
SCHEMBL1239447 0.70 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A

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
CN-101115756-B Tetracyclic imidazo-benzodiazepines as GABA receptor modulators HOFFMANN LA ROCHE 2010-06-16 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-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

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-20060128691-A1 Substituted imidazo[1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives GABRA3, GABRA5, GABRA1 NR2E1 211/4885GRM5 32/4885CYP2E1 300/4885

“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.