SCHEMBL414849

SCHEMBL414849

Cc1ncn(-c2ccc(Nc3cccc4c3nc(-c3ccc(F)cc3)n4C)cc2)n1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 12/20 0.62
PSEN2 P49810 12/20 0.62
APH1B Q8WW43 12/20 0.62
NCSTN Q92542 12/20 0.62
APH1A Q96BI3 12/20 0.62
PSENEN Q9NZ42 12/20 0.62
KCNH2 Q12809 4/20 0.56
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPK10 P53779 7/20 0.47
JUN P05412 2/20 0.44
MAPK8 P45983 2/20 0.40
MAPT P10636 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
SCHEMBL416391 0.88 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL414685 0.88 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL414793 0.87 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL414733 0.86 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10189654 0.85 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL414256 0.84 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL415131 0.84 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10153309 0.83 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL416265 0.83 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL414765 0.82 PSEN1 (0.82) 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-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

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.