SCHEMBL962517

SCHEMBL962517

COc1cc(NC(N)=S)ccc1-n1cnc(C)c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 19/20 0.57
PSEN2 P49810 19/20 0.57
APH1B Q8WW43 19/20 0.57
NCSTN Q92542 19/20 0.57
APH1A Q96BI3 19/20 0.57
PSENEN Q9NZ42 19/20 0.57
CYP3A4 P08684 1/20 0.50
QPCT Q16769 1/20 0.49

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
SCHEMBL2359206 0.90 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1726560 0.88 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1041288 0.87 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL961599 0.87 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4456548 0.85 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2529058 0.84 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL961602 0.84 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7855567 0.83 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1617403 0.82 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1617435 0.82 PSEN1 (0.45) 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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962834-B2 Modulators of amyloid beta HOFFMANN-LA ROCHE INC. (US) 2015-02-24 US disclosed
EP-2257541-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2013-08-14 EP disclosed
US-20130190302-A1 MODULATORS OF AMYLOID BETA HOFFMANN-LA ROCHE INC. (US) 2013-07-25 US disclosed
EP-2379553-B1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2013-06-26 EP disclosed
US-8349880-B2 Bicyclic compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-08 US disclosed
US-8288403-B2 Heterocyclic gamma secretase modulators HOFFMANN-LA ROCHE INC. (US) 2012-10-16 US disclosed
WO-2012030952-A3 REDUCING RIPPLE CURRENT IN A SWITCHED-MODE POWER CONVERTER EMPLOYING A BRIDGE TOPOLOGY TEXAS INSTRUMENTS INCORPORATED (US) 2012-05-10 WO disclosed
EP-2231629-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2011-11-30 EP disclosed
EP-2379553-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2011-10-26 EP disclosed
US-7923450-B2 Modulators for amyloid beta HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US disclosed
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 US disclosed
EP-2231629-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-09-29 EP disclosed
WO-2010083141-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-22 WO disclosed
US-20100120874-A1 HETEROCYCLIC GAMMA SECRETASE MODULATORS HOFFMANN-LA ROCHE, INC. 2010-05-13 US disclosed
EP-2155740-A1 HETARYLANILINES AS MODULATORS FOR AMYLOID BETA F. Hoffmann-Roche AG (CH) 2010-02-24 EP disclosed
US-20090215759-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2009-08-27 US disclosed
WO-2009087127-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-07-16 WO disclosed
US-20090181965-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-07-16 US disclosed
WO-2008138753-A1 HETARYLANILINES AS MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2008-11-20 WO disclosed
US-20080280948-A1 MODULATORS OF AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2008-11-13 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 (6 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
US-20090181965-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, BACE1 PSEN1 2/4885PSEN2 6/4885APH1B 8/4885
US-20090215759-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, APOB PSEN1 2/4885PSEN2 7/4885APH1B 4/4885
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production APP, BACE1, APBA1 PSEN1 6/4885PSEN2 7/4885APH1B 13/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB PSEN1 2/4885PSEN2 7/4885APH1B 4/4885
US-20080280948-A1 MODULATORS OF AMYLOID BETA APP, BACE1, BACE2 PSEN1 7/4885PSEN2 13/4885APH1B 8/4885

“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.