SCHEMBL194756

SCHEMBL194756

COc1nc(-c2nc3n(n2)CCCC3C(=O)NCC(=O)c2ccccc2)ccc1-n1cnc(C)c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.58
PSEN1 P49768 1/20 0.58
PSEN2 P49810 1/20 0.58
APH1B Q8WW43 1/20 0.58
NCSTN Q92542 1/20 0.58
APH1A Q96BI3 1/20 0.58
PSENEN Q9NZ42 1/20 0.58

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
SCHEMBL10236843 0.90 CYP2C9 (0.58) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL719233 0.88 CYP2C9 (0.61) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL718118 0.86 CYP2C9 (0.63) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL10236861 0.83 CYP2C9 (0.61) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL10236867 0.83 CYP2C9 (0.61) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL10236855 0.83 CYP2C9 (0.60) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL10236844 0.82 CYP2C9 (0.58) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL10236849 0.82 CYP2C9 (0.58) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL10236839 0.80 CYP2C9 (0.61) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL10236599 0.79 CYP2C9 (0.75) CYP2C9PSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401276-B1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MAN CO LTD (JP) 2013-06-05 EP disclosed
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors EISAI R&D MANAGEMENT CO., LTD., (JP) 2012-03-01 US disclosed
EP-2401276-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS Eisai R&D Management Co., Ltd. (JP) 2012-01-04 EP 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-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors BACE1, APP, PSEN1 CYP2C9 2129/4885PSEN1 3/4885PSEN2 6/4885

“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.