SCHEMBL416433

SCHEMBL416433

COc1cc(Nc2nccc3c2nc(CC2CC2)n3C)ccc1-n1ncnc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 9/20 0.46
PSEN2 P49810 9/20 0.46
APH1B Q8WW43 9/20 0.46
NCSTN Q92542 9/20 0.46
APH1A Q96BI3 9/20 0.46
PSENEN Q9NZ42 9/20 0.46
TTK P33981 3/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
PDGFRB P09619 2/20 0.33
PDGFRA P16234 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNH2 Q12809 1/20 0.33
RET P07949 1/20 0.32
ROS1 P08922 1/20 0.32
FLT3 P36888 1/20 0.32

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
SCHEMBL418346 0.72 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1358581 0.69 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL416519 0.69 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL417388 0.66 PSEN1 (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL416479 0.66 PSEN1 (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL413272 0.66 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL413672 0.66 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL418281 0.66 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL415578 0.64 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15222107 0.63 PSEN1 (0.56) 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.