SCHEMBL22494479

SCHEMBL22494479

Fc1ccc(C2CCCCn3nc(Br)nc32)cc1F

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 19/20 0.51
PSEN2 P49810 19/20 0.51
APH1B Q8WW43 19/20 0.51
NCSTN Q92542 19/20 0.51
APH1A Q96BI3 19/20 0.51
PSENEN Q9NZ42 19/20 0.51
APP P05067 12/20 0.51

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
SCHEMBL2271918 0.81 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21179376 0.80 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21374341 0.80 RIPK1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23413486 0.80 APP (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22494480 0.80 APP (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29743515 0.80 APP (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21326188 0.78 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22494453 0.78 APP (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27017005 0.77 APP (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL722585 0.74 PSEN1 (0.49) 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
EP-3728262-B1 TRIAZOLO-AZEPINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-03-15 EP disclosed
US-11440915-B2 Triazolo-azepine derivatives HOFFMANN-LA ROCHE INC. (US) 2022-09-13 US disclosed
EP-3728262-A1 TRIAZOLO-AZEPINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2020-10-28 EP disclosed
US-20200317681-A1 TRIAZOLO-AZEPINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-08 US disclosed
US-20200317681-A1 TRIAZOLO-AZEPINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-08 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 (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-20200317681-A1 TRIAZOLO-AZEPINE DERIVATIVES HUWE1, APP, PSEN1 PSEN1 3/4885PSEN2 8/4885APH1B 60/4885
US-11440915-B2 Triazolo-azepine derivatives HUWE1, PSEN1, UPF1 PSEN1 2/4885PSEN2 7/4885APH1B 45/4885

“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.