SCHEMBL10153121

SCHEMBL10153121

Cc1cn(-c2ccc(N)cc2C=O)cn1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 1/20 0.40
PSEN1 P49768 12/20 0.36
PSEN2 P49810 11/20 0.36
APH1B Q8WW43 11/20 0.36
NCSTN Q92542 11/20 0.36
APH1A Q96BI3 11/20 0.36
PSENEN Q9NZ42 11/20 0.36
KCNH2 Q12809 4/20 0.36
EGLN2 Q96KS0 1/20 0.36
CYP2E1 P05181 1/20 0.35
CYP2A6 P11509 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
SCHEMBL21109182 0.83 NR2E1 (0.38) NR2E1PSEN1PSEN2APH1BNCSTN
SCHEMBL1616168 0.80 ALDH1A1 (0.49) NR2E1PSEN1PSEN2APH1BNCSTN
SCHEMBL10153280 0.79 PDE3B (0.34)
SCHEMBL7733899 0.78 ALDH1A1 (0.39) NR2E1PSEN1PSEN2APH1BNCSTN
SCHEMBL9868208 0.78 EGLN2 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10153120 0.78 ALDH1A1 (0.49)
SCHEMBL21109184 0.78 NR2E1 (0.40) NR2E1PSEN1PSEN2APH1BNCSTN
SCHEMBL1616782 0.77 PSEN1 (0.45) NR2E1PSEN1PSEN2APH1BNCSTN
SCHEMBL1616928 0.77 NR2E1 (0.46) NR2E1PSEN1PSEN2APH1BNCSTN
SCHEMBL7935796 0.77 TSHR (0.43) NR2E1PSEN1PSEN2APH1BNCSTN

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 NR2E1 804/4885PSEN1 4/4885PSEN2 6/4885

“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.