SCHEMBL1358754

SCHEMBL1358754

Cc1ccc(-c2cn3cccc(Nc4ccc(-c5cnc(C)o5)cc4)c3n2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 7/20 0.42
PSEN2 P49810 7/20 0.42
APH1B Q8WW43 7/20 0.42
NCSTN Q92542 7/20 0.42
APH1A Q96BI3 7/20 0.42
PSENEN Q9NZ42 7/20 0.42
FEN1 P39748 2/20 0.40
ALOX5AP P20292 1/20 0.40
NPC1 O15118 4/20 0.37
ALDH1A1 P00352 4/20 0.37
RAB9A P51151 4/20 0.37
NFKB1 P19838 3/20 0.37
NFKB2 Q00653 3/20 0.37
RELA Q04206 3/20 0.37
GAA P10253 1/20 0.37
DHODH Q02127 2/20 0.37
TP53 P04637 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL1360211 0.88 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16418220 0.85 ALDH1A1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16418097 0.85 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16418198 0.82 BRAF (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1358598 0.81 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16418146 0.79 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7897620 0.79 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1359463 0.79 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16418224 0.77 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16418151 0.77 PSEN1 (0.48) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150094311-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS CELLZOME LTD (GB) 2015-04-02 US disclosed
US-8946426-B2 Substituted bicyclic heterocyclic compounds as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
US-20110281881-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2011-11-17 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 (2 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-20110281881-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A PSEN1 5/4885PSEN2 10/4885APH1B 4/4885
US-20150094311-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A PSEN1 5/4885PSEN2 10/4885APH1B 4/4885

“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.