SCHEMBL10153323

SCHEMBL10153323

Cc1cn(-c2ccc(Nc3cccc4c3nc(CC3CCN(C(=O)OC(C)(C)C)CC3)n4C)cc2C=O)cn1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 16/20 0.49
PSEN2 P49810 16/20 0.49
APH1B Q8WW43 16/20 0.49
NCSTN Q92542 16/20 0.49
APH1A Q96BI3 16/20 0.49
PSENEN Q9NZ42 16/20 0.49
KCNH2 Q12809 3/20 0.43
USP30 Q70CQ3 1/20 0.37
BRD4 O60885 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
PIK3CA P42336 1/20 0.35
PRKDC P78527 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
SCHEMBL414453 0.90 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7883339 0.90 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL415578 0.81 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7880692 0.74 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10153300 0.72 PSEN1 (0.79) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7880649 0.71 KDM4E (0.44) USP30GPR119
SCHEMBL10153303 0.70 PSEN1 (0.76) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL414476 0.69 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24983989 0.68 KDM4E (0.50) GPR119
SCHEMBL30163962 0.68 KDM4E (0.50) GPR119

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 2 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-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.