SCHEMBL7914890

SCHEMBL7914890

COc1nc(-c2nc3n(n2)CC[C@H]3c2ccccc2C(F)(F)F)ccc1-n1cnc(C)c1

nearest known ligand 0.92

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.92
PSEN2 P49810 3/20 0.92
APH1B Q8WW43 3/20 0.92
NCSTN Q92542 3/20 0.92
APH1A Q96BI3 3/20 0.92
PSENEN Q9NZ42 3/20 0.92
CYP2C9 P11712 2/20 0.92
CYP3A4 P08684 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
SCHEMBL721969 1.00 PSEN1 (0.92) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10236610 1.00 PSEN1 (0.92) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8513779 0.96 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9229193 0.96 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8509647 0.96 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10236670 0.95 PSEN1 (0.95) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL721328 0.95 PSEN1 (0.95) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10236666 0.95 PSEN1 (0.95) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10236801 0.90 PSEN1 (0.78) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7913705 0.90 PSEN1 (0.78) 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 5 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
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 PSEN1 3/4885PSEN2 6/4885APH1B 10/4885

“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.