SCHEMBL19787614

SCHEMBL19787614

CC1(C)CN(c2ccc(F)cc2)c2nc(Cl)nc(NCCO)c21

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 10/20 0.55
PSEN2 P49810 10/20 0.55
APH1B Q8WW43 10/20 0.55
NCSTN Q92542 10/20 0.55
APH1A Q96BI3 10/20 0.55
PSENEN Q9NZ42 10/20 0.55
APP P05067 10/20 0.53

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
SCHEMBL19787521 0.84 APP (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29801652 0.84 APP (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21273681 0.73 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21273727 0.72 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19787528 0.72 APP (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21032273 0.72 APP (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21050390 0.71 APP (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21093625 0.71 APP (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21050392 0.71 APP (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21050391 0.71 APP (1.00) 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 9 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 disclosed
CN-109311877-B Fused pyrimidine derivatives 豪夫迈·罗氏有限公司 2021-05-28 CN disclosed
EP-3481829-B1 FUSED PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-04-07 EP disclosed
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-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-20190177329-A1 FUSED PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-06-13 US disclosed
WO-2018011164-A1 FUSED PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2018-01-18 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-10730881-B2 Fused pyrimidine derivatives APP, UPF1, PSEN1 PSEN1 3/4885PSEN2 10/4885APH1B 23/4885
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
US-20190177329-A1 FUSED PYRIMIDINE DERIVATIVES APP, UPF1, PSEN1 PSEN1 3/4885PSEN2 10/4885APH1B 23/4885

“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.