SCHEMBL954579

SCHEMBL954579

COc1cccc(-c2n[nH]c(-c3ccc(-n4cnc(C)c4)c(OC)c3)n2)c1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 18/20 0.73
PSEN2 P49810 18/20 0.73
APH1B Q8WW43 18/20 0.73
NCSTN Q92542 18/20 0.73
APH1A Q96BI3 18/20 0.73
PSENEN Q9NZ42 18/20 0.73
NR1H2 P55055 1/20 0.57
NR1H3 Q13133 1/20 0.57
ADORA2A P29274 1/20 0.56
ADORA1 P30542 1/20 0.56

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
SCHEMBL9278737 0.87 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL960263 0.87 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8513806 0.86 PSEN1 (0.76) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9227459 0.86 PSEN1 (0.76) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8510452 0.85 PSEN1 (0.92) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9284426 0.85 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL955783 0.82 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL955715 0.82 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9221442 0.82 PSEN1 (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL955258 0.81 PSEN1 (0.69) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
EP-2454239-B1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICALS INC (US) 2014-08-13 EP disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 US disclosed
EP-2454239-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS Janssen Pharmaceuticals Inc. (US) 2012-05-23 EP disclosed
WO-2011006903-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2011-01-20 WO 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-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES 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.