SCHEMBL13835871

SCHEMBL13835871

COc1cc(Nc2nc(Oc3ccccc3Cl)n(C)n2)ccc1-c1ccnc(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 6/20 0.47
PSEN2 P49810 6/20 0.47
APH1B Q8WW43 6/20 0.47
NCSTN Q92542 6/20 0.47
APH1A Q96BI3 6/20 0.47
PSENEN Q9NZ42 6/20 0.47
KCNH2 Q12809 2/20 0.42
CYP2D6 P10635 1/20 0.42
GPR142 Q7Z601 1/20 0.42
FLT3 P36888 2/20 0.41
JAK2 O60674 4/20 0.40
PTK2 Q05397 1/20 0.40
AURKA O14965 2/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
AURKB Q96GD4 1/20 0.38
BRD4 O60885 1/20 0.38
EGFR P00533 1/20 0.38
FGFR1 P11362 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL6915540 0.89 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL13835489 0.87 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL13835292 0.87 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13835331 0.87 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL13835536 0.86 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2149076 0.86 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13834745 0.86 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13834930 0.85 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL13835016 0.85 SRC (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15949244 0.81 PSEN1 (0.41) 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.