SCHEMBL990586

SCHEMBL990586

C[C@H]1OC[C@]2(c3cc(NC(=O)c4ccc(C#N)cn4)ccc3F)N=C(N)N(C)C(=O)[C@H]12

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.66
BACE2 Q9Y5Z0 11/20 0.66
CYP2D6 P10635 1/20 0.58
KCNH2 Q12809 1/20 0.58
PSEN1 P49768 1/20 0.57
PSEN2 P49810 1/20 0.57
APH1B Q8WW43 1/20 0.57
NCSTN Q92542 1/20 0.57
APH1A Q96BI3 1/20 0.57
PSENEN Q9NZ42 1/20 0.57

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
SCHEMBL11913724 0.93 BACE1 (0.58) BACE1BACE2CYP2D6KCNH2
SCHEMBL989722 0.92 BACE1 (0.65) BACE1BACE2CYP2D6KCNH2PSEN1
SCHEMBL991247 0.91 BACE1 (0.59) BACE1BACE2KCNH2
SCHEMBL990433 0.88 BACE1 (0.58) BACE1BACE2
SCHEMBL989772 0.88 BACE1 (0.63) BACE1BACE2
SCHEMBL11913722 0.87 BACE1 (0.57) BACE1BACE2
SCHEMBL6919949 0.86 BACE1 (0.67) BACE1BACE2PSEN1PSEN2APH1B
SCHEMBL989821 0.86 BACE1 (0.68) BACE1BACE2
SCHEMBL11913714 0.86 BACE1 (0.52) BACE1BACE2
SCHEMBL990426 0.86 BACE1 (0.63) BACE1BACE2CYP2D6

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
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-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 (1 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-20120202828-A1 FUSED AMINODIHYDROPYRIMIDONE DERIVATIVES BACE1, APP, BACE2 BACE1 1/4885BACE2 3/4885CYP2D6 527/4885

“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.