SCHEMBL13835792

SCHEMBL13835792

COc1cc(Nc2nc(-c3cccc(C(F)(F)F)c3)n(C(C)C)n2)ccc1-c1ccnc(C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.59
PSEN2 P49810 4/20 0.59
APH1B Q8WW43 4/20 0.59
NCSTN Q92542 4/20 0.59
APH1A Q96BI3 4/20 0.59
PSENEN Q9NZ42 4/20 0.59
PLK1 P53350 1/20 0.46
PLK3 Q9H4B4 1/20 0.46
JAK2 O60674 4/20 0.43
JAK3 P52333 2/20 0.43
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
PTK2 Q05397 1/20 0.41
GSK3B P49841 2/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
KCNH2 Q12809 1/20 0.39
GPR142 Q7Z601 1/20 0.39
TDO2 P48775 1/20 0.39

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
SCHEMBL13834760 0.89 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2150843 0.89 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15949159 0.89 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13835171 0.86 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15949219 0.84 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2150317 0.83 PSEN1 (0.79) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL13834860 0.83 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15949169 0.82 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13835186 0.81 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL13835573 0.80 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-9079886-B2 Substituted triazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-07-14 US disclosed
EP-2523949-B1 NOVEL SUBSTITUTED TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICALS INC (US) 2014-08-20 EP disclosed
US-20120295891-A1 NOVEL SUBSTITUTED TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-11-22 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-20120295891-A1 NOVEL SUBSTITUTED TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A PSEN1 5/4885PSEN2 15/4885APH1B 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.