SCHEMBL989722

SCHEMBL989722

CN1C(=O)[C@@H]2[C@@H](C(F)(F)F)OC[C@]2(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)N=C1N

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.65
BACE2 Q9Y5Z0 8/20 0.65
APP P05067 1/20 0.57
CYP2D6 P10635 1/20 0.56
KCNH2 Q12809 1/20 0.56
PSEN1 P49768 1/20 0.55
PSEN2 P49810 1/20 0.55
APH1B Q8WW43 1/20 0.55
NCSTN Q92542 1/20 0.55
APH1A Q96BI3 1/20 0.55
PSENEN Q9NZ42 1/20 0.55

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
SCHEMBL990586 0.92 BACE1 (0.66) BACE1BACE2CYP2D6KCNH2PSEN1
SCHEMBL988912 0.91 BACE1 (0.57) BACE1BACE2
SCHEMBL990462 0.86 BACE1 (0.61) BACE1BACE2APP
SCHEMBL11913728 0.86 BACE1 (0.51) BACE1BACE2
SCHEMBL11913723 0.86 BACE1 (0.51) BACE1BACE2
SCHEMBL990605 0.86 BACE1 (0.61) BACE1BACE2CYP2D6
SCHEMBL11913719 0.86 BACE1 (0.55) BACE1BACE2
SCHEMBL11913724 0.85 BACE1 (0.58) BACE1BACE2CYP2D6KCNH2
SCHEMBL6919949 0.84 BACE1 (0.67) BACE1BACE2PSEN1PSEN2APH1B
SCHEMBL989772 0.83 BACE1 (0.63) BACE1BACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139594-B2 Fused aminodihydropyrimidone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-09-22 US claimed
US-20120202828-A1 FUSED AMINODIHYDROPYRIMIDONE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-09 US claimed
EP-2456771-A1 FUSED AMINODIHYDROPYRIMIDONE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2012-05-30 EP claimed
WO-2011009897-A1 FUSED AMINODIHYDROPYRIMIDONE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD (JP) 2011-01-27 WO claimed
US-20230218629-A1 THERAPEUTIC COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF DIASTOLIC DYSFUNCTION Ambetex Pty Ltd (AU) 2023-07-13 US disclosed
US-20230218629-A1 THERAPEUTIC COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF DIASTOLIC DYSFUNCTION Ambetex Pty Ltd (AU) 2023-07-13 US disclosed
US-9139594-B2 Fused aminodihydropyrimidone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-09-22 US disclosed
US-9139594-B2 Fused aminodihydropyrimidone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-09-22 US disclosed
US-9139594-B2 Fused aminodihydropyrimidone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-09-22 US disclosed
US-20120202828-A1 FUSED AMINODIHYDROPYRIMIDONE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-09 US disclosed
US-20120202828-A1 FUSED AMINODIHYDROPYRIMIDONE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-09 US disclosed
US-20120202828-A1 FUSED AMINODIHYDROPYRIMIDONE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-09 US disclosed
EP-2456771-A1 FUSED AMINODIHYDROPYRIMIDONE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2012-05-30 EP disclosed
WO-2011009897-A1 FUSED AMINODIHYDROPYRIMIDONE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD (JP) 2011-01-27 WO disclosed
WO-2011009897-A1 FUSED AMINODIHYDROPYRIMIDONE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD (JP) 2011-01-27 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 (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-20230218629-A1 THERAPEUTIC COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF DIASTOLIC DYSFUNCTION TNNI3, TNNT2, TNNC1 BACE1 5/4885BACE2 12/4885APP 16/4885
US-20120202828-A1 FUSED AMINODIHYDROPYRIMIDONE DERIVATIVES BACE1, APP, BACE2 BACE1 1/4885BACE2 3/4885APP 2/4885

“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.