SCHEMBL954828

SCHEMBL954828

COc1nc(-c2nc3n(n2)CCC[C@@H]3c2cc(C(F)(F)F)ccc2C)ccc1-n1cnc(C)c1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.75
PSEN1 P49768 1/20 0.75
PSEN2 P49810 1/20 0.75
APH1B Q8WW43 1/20 0.75
NCSTN Q92542 1/20 0.75
APH1A Q96BI3 1/20 0.75
PSENEN Q9NZ42 1/20 0.75

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
SCHEMBL958811 1.00 CYP2C9 (0.75) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL958020 1.00 CYP2C9 (0.75) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL7916748 0.92 CYP2C9 (0.74) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL719218 0.92 CYP2C9 (0.74) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL7916762 0.92 CYP2C9 (0.74) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL10236572 0.89 CYP2C9 (0.75) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL10236573 0.89 CYP2C9 (0.75) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL7920071 0.88 CYP2C9 (0.73) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL10236500 0.88 CYP2C9 (0.73) CYP2C9PSEN1PSEN2APH1BNCSTN
SCHEMBL719888 0.88 CYP2C9 (0.73) CYP2C9PSEN1PSEN2APH1BNCSTN

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-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 US disclosed
EP-2454239-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS Janssen Pharmaceuticals Inc. (US) 2012-05-23 EP disclosed
WO-2011006903-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2011-01-20 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-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A CYP2C9 468/4885PSEN1 5/4885PSEN2 10/4885

“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.