SCHEMBL418358

SCHEMBL418358

Cc1ncn(-c2ccc(Nc3nccc4c3nc(-c3ccc(F)cc3F)n4C)c(F)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 6/20 0.41
PSEN2 P49810 6/20 0.41
APH1B Q8WW43 6/20 0.41
NCSTN Q92542 6/20 0.41
APH1A Q96BI3 6/20 0.41
PSENEN Q9NZ42 6/20 0.41
MAPK14 Q16539 4/20 0.36
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK10 P53779 4/20 0.34
JUN P05412 1/20 0.33
MAPK1 P28482 1/20 0.32
P2RX7 Q99572 3/20 0.31
KCNH2 Q12809 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL412697 0.80 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL411552 0.71 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1360551 0.69 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1360570 0.69 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL416563 0.68 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1360653 0.66 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1358609 0.66 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1360143 0.66 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL414849 0.64 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL415493 0.64 PSEN1 (0.51) 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-8772504-B2 Substituted benzoxazole, benzimidazole, oxazolopyridine and imidazopyridine derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2014-07-08 US disclosed
EP-2398793-B1 NOVEL SUBSTITUTED BENZOXAZOLE, BENZIMIDAZOLE, OXAZOLOPYRIDINE AND IMIDAZOPYRIDINE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICALS INC (US) 2013-12-18 EP disclosed
US-20120022090-A1 NOVEL SUBSTITUTED BENZOXAZOLE, BENZIMIDAZOLE, OXAZOLOPYRIDINE AND IMIDAZOPYRIDINE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-01-26 US disclosed
EP-2398793-A1 NOVEL SUBSTITUTED BENZOXAZOLE, BENZIMIDAZOLE, OXAZOLOPYRIDINE AND IMIDAZOPYRIDINE DERIVATIVES AS GAMMA SECRETASE MODULATORS Ortho-McNeil-Janssen Pharmaceuticals, Inc. (US) 2011-12-28 EP disclosed
WO-2010094647-A1 NOVEL SUBSTITUTED BENZOXAZOLE, BENZIMIDAZOLE, OXAZOLOPYRIDINE AND IMIDAZOPYRIDINE DERIVATIVES AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-08-26 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-20120022090-A1 NOVEL SUBSTITUTED BENZOXAZOLE, BENZIMIDAZOLE, OXAZOLOPYRIDINE AND IMIDAZOPYRIDINE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP PSEN1 4/4885PSEN2 6/4885APH1B 13/4885

“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.