Sugi Predict

Sugi Predict / Compounds / SCHEMBL7883265

SCHEMBL7883265

SCHEMBL7883265

Cn1c(-c2ccc(F)cc2F)nc2c(N)cccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 2/20 0.46
▸ PSEN2 P49810 2/20 0.46
▸ APH1B Q8WW43 2/20 0.46
▸ NCSTN Q92542 2/20 0.46
▸ APH1A Q96BI3 2/20 0.46
▸ PSENEN Q9NZ42 2/20 0.46
▸ FBP1 P09467 1/20 0.44
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ P2RX7 Q99572 4/20 0.39
▸ MAPK14 Q16539 3/20 0.37
▸ MAPK13 O15264 1/20 0.37
▸ MAPK12 P53778 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ MAPK11 Q15759 1/20 0.37
▸ CYP17A1 P05093 1/20 0.37
▸ TLR8 Q9NR97 1/20 0.37
▸ CYP3A4 P08684 2/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ HCRTR1 O43613 1/20 0.35

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
SCHEMBL7883894 0.80 FBP1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6298381 0.77 SMN1; SMN2 (0.49) ADORA2AADORA1CYP3A4MEN1HCRTR1
SCHEMBL27611222 0.76 SMN1; SMN2 (0.48) ADORA2AADORA1CYP3A4MEN1HCRTR1
SCHEMBL6118671 0.71 FBP1 (0.49) FBP1ADORA2ATLR8CYP3A4ALDH1A1
SCHEMBL28499395 0.71 ALDH1A1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21555489 0.69 TLR8 (0.57) FBP1ADORA2ATLR8
SCHEMBL28453346 0.68 ALDH1A1 (0.48) ADORA2AADORA1MAPK14MAPK13MAPK12
SCHEMBL5202196 0.67 ADORA2A (0.39) ADORA2AADORA1
SCHEMBL21464154 0.67 ALDH1A1 (0.52) ADORA2AADORA1MAPK14MAPK13MAPK12
SCHEMBL15000593 0.66 TLR8 (0.43) FBP1ADORA2AADORA1TLR8MEN1

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 4 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
US-8772504-B2 Substituted benzoxazole, benzimidazole, oxazolopyridine and imidazopyridine derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2014-07-08 — — US disclosed
US-20120022090-A1 NOVEL SUBSTITUTED BENZOXAZOLE, BENZIMIDAZOLE, OXAZOLOPYRIDINE AND IMIDAZOPYRIDINE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-01-26 — — US 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.