SCHEMBL1360656

SCHEMBL1360656

COc1cccc(-c2nc3c(Nc4ccc(-c5cnc(C)o5)nc4)cc(F)cc3n2C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 8/20 0.45
PSEN2 P49810 8/20 0.45
APH1B Q8WW43 8/20 0.45
NCSTN Q92542 8/20 0.45
APH1A Q96BI3 8/20 0.45
PSENEN Q9NZ42 8/20 0.45
KCNH2 Q12809 3/20 0.40
VCP P55072 1/20 0.38
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
PDE2A O00408 1/20 0.37
PDE10A Q9Y233 1/20 0.37
MEN1 O00255 2/20 0.37
USP2 O75604 2/20 0.37

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
SCHEMBL1360161 0.91 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1358847 0.88 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1360196 0.87 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16593881 0.82 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1360168 0.81 DHODH (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1360568 0.80 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16593787 0.79 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16593903 0.79 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1360574 0.78 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1359439 0.77 PSEN1 (0.43) 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 4 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
EP-2393804-B1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICALS INC (US) 2014-04-16 EP 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.