SCHEMBL21179376

SCHEMBL21179376

Fc1cc(Cl)cc(C2CCCCn3nc(Br)nc32)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 16/20 0.52
PSEN2 P49810 16/20 0.52
APH1B Q8WW43 16/20 0.52
NCSTN Q92542 16/20 0.52
APH1A Q96BI3 16/20 0.52
PSENEN Q9NZ42 16/20 0.52
APP P05067 14/20 0.52
RIPK1 Q13546 4/20 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
SCHEMBL21179475 0.85 APP (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24200731 0.85 APP (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24200607 0.82 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22494479 0.80 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23629614 0.79 APP (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22090514 0.78 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23629608 0.76 RIPK1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30714810 0.76 RIPK1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21374341 0.75 RIPK1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22090333 0.74 PSEN1 (0.52) 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 13 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
US-11370802-B2 Triazolo-azepine derivatives HOFFMANN-LA ROCHE, INC. (US) 2022-06-28 US disclosed
US-11370802-B2 Triazolo-azepine derivatives HOFFMANN-LA ROCHE, INC. (US) 2022-06-28 US disclosed
EP-3743428-B1 TRIAZOLO-AZEPINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2022-01-19 EP disclosed
EP-3743428-B1 TRIAZOLO-AZEPINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2022-01-19 EP disclosed
US-20210395270-A1 TRIAZOLO-AZEPINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2021-12-23 US disclosed
US-20210395270-A1 TRIAZOLO-AZEPINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2021-12-23 US disclosed
EP-3743428-A1 TRIAZOLO-AZEPINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2020-12-02 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
WO-2019141832-A1 TRIAZOLO-AZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2019-07-25 WO disclosed
WO-2019141832-A1 TRIAZOLO-AZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2019-07-25 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 (4 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
US-20210395270-A1 TRIAZOLO-AZEPINE DERIVATIVES BACE1, APP, BACE2 PSEN1 5/4885PSEN2 8/4885APH1B 6/4885
US-11370802-B2 Triazolo-azepine derivatives BACE1, APP, BACE2 PSEN1 5/4885PSEN2 8/4885APH1B 6/4885

“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.