SCHEMBL21273741

SCHEMBL21273741

CNc1nc(Nc2cnc(-n3cnc(C)c3)c(OC)c2)nc2c1C(C)(C)CN2C1CC(F)(F)C1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 18/20 0.79
PSEN2 P49810 18/20 0.79
APH1B Q8WW43 18/20 0.79
NCSTN Q92542 18/20 0.79
APH1A Q96BI3 18/20 0.79
PSENEN Q9NZ42 18/20 0.79
APP P05067 2/20 0.48
KCNH2 Q12809 1/20 0.42

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
SCHEMBL23192256 0.90 PSEN1 (0.69) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23192349 0.86 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21273684 0.83 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21273728 0.83 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21273697 0.83 PSEN1 (0.82) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21273748 0.81 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21273715 0.81 PSEN1 (0.74) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23192351 0.80 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21273719 0.78 PSEN1 (0.76) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16923135 0.77 PSEN1 (0.58) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109415369-B Fused pyrimidine derivatives 豪夫迈·罗氏有限公司 2021-12-07 CN claimed
US-10669276-B2 Fused pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2020-06-02 US claimed
US-20190256517-A1 FUSED PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-08-22 US claimed
CN-109415369-B Fused pyrimidine derivatives 豪夫迈·罗氏有限公司 2021-12-07 CN disclosed
EP-3481829-B1 FUSED PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-04-07 EP disclosed
EP-3481829-B1 FUSED PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-04-07 EP disclosed
US-10669276-B2 Fused pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2020-06-02 US disclosed
US-10669276-B2 Fused pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2020-06-02 US disclosed
US-20190256517-A1 FUSED PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-08-22 US disclosed
US-20190256517-A1 FUSED PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-08-22 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-20190256517-A1 FUSED PYRIMIDINE DERIVATIVES C9, APP, HPGDS PSEN1 16/4885PSEN2 32/4885APH1B 31/4885
US-10669276-B2 Fused pyrimidine derivatives APP, APOB, C9 PSEN1 11/4885PSEN2 18/4885APH1B 14/4885

“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.