SCHEMBL1616271

SCHEMBL1616271

Cc1cn(-c2cccc(Nc3nc4c(s3)CN(Cc3ccccc3)CC4c3ccccc3Cl)c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 12/20 0.49
PSEN2 P49810 12/20 0.49
APH1B Q8WW43 12/20 0.49
NCSTN Q92542 12/20 0.49
APH1A Q96BI3 12/20 0.49
PSENEN Q9NZ42 12/20 0.49
CYP3A4 P08684 1/20 0.35
NR2E1 Q9Y466 4/20 0.35
MKNK1 Q9BUB5 2/20 0.34

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
SCHEMBL1617203 0.86 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3663462 0.76 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1616420 0.75 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1616619 0.70 PSEN1 (0.79) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1616840 0.69 PSEN1 (0.80) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1616164 0.66 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1616640 0.63 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1617356 0.62 PSEN1 (0.74) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8034475 0.62 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1616422 0.61 PSEN1 (0.84) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923450-B2 Modulators for amyloid beta HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US disclosed
US-20090181965-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-07-16 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-20090181965-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, BACE1 PSEN1 2/4885PSEN2 6/4885APH1B 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.