SCHEMBL2359441

SCHEMBL2359441

COc1cc(Nc2ncn(C(C)c3ccccc3)n2)ccc1-n1cnc(C)c1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 20/20 0.57
PSEN2 P49810 20/20 0.57
APH1B Q8WW43 20/20 0.57
NCSTN Q92542 20/20 0.57
APH1A Q96BI3 20/20 0.57
PSENEN Q9NZ42 20/20 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
SCHEMBL2359573 0.84 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8070672 0.79 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3795011 0.79 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4102615 0.79 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12738729 0.78 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7739011 0.77 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4103642 0.77 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4090982 0.77 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16685699 0.76 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8817778 0.75 PSEN1 (0.58) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288403-B2 Heterocyclic gamma secretase modulators HOFFMANN-LA ROCHE INC. (US) 2012-10-16 US claimed
EP-2355817-A1 HETEROCYCLIC GAMMA SECRETASE MODULATORS F. Hoffmann-La Roche AG (CH) 2011-08-17 EP claimed
WO-2010052199-A1 HETEROCYCLIC GAMMA SECRETASE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-14 WO claimed
US-20100120874-A1 HETEROCYCLIC GAMMA SECRETASE MODULATORS HOFFMANN-LA ROCHE, INC. 2010-05-13 US claimed
US-8288403-B2 Heterocyclic gamma secretase modulators HOFFMANN-LA ROCHE INC. (US) 2012-10-16 US disclosed
US-8288403-B2 Heterocyclic gamma secretase modulators HOFFMANN-LA ROCHE INC. (US) 2012-10-16 US disclosed
US-8288403-B2 Heterocyclic gamma secretase modulators HOFFMANN-LA ROCHE INC. (US) 2012-10-16 US disclosed
EP-2355817-A1 HETEROCYCLIC GAMMA SECRETASE MODULATORS F. Hoffmann-La Roche AG (CH) 2011-08-17 EP disclosed
WO-2010052199-A1 HETEROCYCLIC GAMMA SECRETASE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-14 WO disclosed
US-20100120874-A1 HETEROCYCLIC GAMMA SECRETASE MODULATORS HOFFMANN-LA ROCHE, INC. 2010-05-13 US disclosed
US-20100120874-A1 HETEROCYCLIC GAMMA SECRETASE MODULATORS HOFFMANN-LA ROCHE, INC. 2010-05-13 US disclosed
US-20100120874-A1 HETEROCYCLIC GAMMA SECRETASE MODULATORS HOFFMANN-LA ROCHE, INC. 2010-05-13 US 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-20100120874-A1 HETEROCYCLIC GAMMA SECRETASE MODULATORS BACE1, APH1A, APP PSEN1 5/4885PSEN2 7/4885APH1B 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.