SCHEMBL7918707

SCHEMBL7918707

COc1ccc(C(C)(C)C)cc1[C@@H]1CCCn2nc(-c3ccc(-n4cnc(C)c4)c(OC)n3)nc21

nearest known ligand 0.86

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.68
PSEN1 P49768 1/20 0.68
PSEN2 P49810 1/20 0.68
APH1B Q8WW43 1/20 0.68
NCSTN Q92542 1/20 0.68
APH1A Q96BI3 1/20 0.68
PSENEN Q9NZ42 1/20 0.68

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
SCHEMBL7918219 1.00 CYP2C9 (0.68) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL717975 1.00 CYP2C9 (0.68) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL10237538 0.93 CYP2C9 (0.69) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL10237539 0.93 CYP2C9 (0.69) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL10237253 0.92 CYP2C9 (0.70) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL10237257 0.92 CYP2C9 (0.68) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL10237252 0.92 CYP2C9 (0.70) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL10237259 0.92 CYP2C9 (0.68) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL10237546 0.91 CYP2C9 (0.68) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL10237543 0.91 CYP2C9 (0.68) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754100-B2 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-17 US disclosed
US-8754100-B2 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-17 US disclosed
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
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
WO-2010098487-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 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-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.