SCHEMBL21050367

SCHEMBL21050367

CNc1nc(N[C@@H]2[C@@H]3CC[C@H]2CN(c2cc(C)ncn2)C3)nc2c1C(C)(C)CN2c1ccc(F)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
APP P05067 14/20 1.00
PSEN1 P49768 6/20 0.83
PSEN2 P49810 6/20 0.83
APH1B Q8WW43 6/20 0.83
NCSTN Q92542 6/20 0.83
APH1A Q96BI3 6/20 0.83
PSENEN Q9NZ42 6/20 0.83

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
SCHEMBL21093918 1.00 APP (1.00) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL21050368 1.00 APP (1.00) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL21050366 1.00 APP (1.00) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL22915503 0.95 APP (0.91) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL21050352 0.91 APP (1.00) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL21093525 0.91 APP (1.00) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL21050354 0.91 APP (1.00) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL21050353 0.91 APP (1.00) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL21050460 0.90 APP (1.00) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL21050464 0.90 APP (1.00) APPPSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3484884-B1 FUSED PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-01-27 EP claimed
US-10730881-B2 Fused pyrimidine derivatives HOFFMANN-LA ROCHE, INC. (US) 2020-08-04 US claimed
US-20190177329-A1 FUSED PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-06-13 US claimed
EP-3484884-B1 FUSED PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-01-27 EP disclosed
US-10730881-B2 Fused pyrimidine derivatives HOFFMANN-LA ROCHE, INC. (US) 2020-08-04 US disclosed
US-20190177329-A1 FUSED PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-06-13 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-10730881-B2 Fused pyrimidine derivatives APP, UPF1, PSEN1 APP 1/4885PSEN1 3/4885PSEN2 10/4885
US-20190177329-A1 FUSED PYRIMIDINE DERIVATIVES APP, UPF1, PSEN1 APP 1/4885PSEN1 3/4885PSEN2 10/4885

“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.