SCHEMBL953895

SCHEMBL953895

COc1cc(-c2nc3n(n2)CCCC3c2ccc(F)cc2C)ccc1-n1cnc(C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 13/20 1.00
PSEN2 P49810 13/20 1.00
APH1B Q8WW43 13/20 1.00
NCSTN Q92542 13/20 1.00
APH1A Q96BI3 13/20 1.00
PSENEN Q9NZ42 13/20 1.00
CYP2C9 P11712 4/20 1.00
CYP3A4 P08684 3/20 1.00
KCNH2 Q12809 2/20 1.00
CYP2C19 P33261 2/20 1.00

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
SCHEMBL955061 1.00 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL954831 1.00 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL8509538 0.99 PSEN1 (0.98) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL8510533 0.99 PSEN1 (0.98) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL954991 0.94 PSEN1 (0.88) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL956802 0.89 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL955541 0.89 PSEN1 (0.81) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL961156 0.89 PSEN1 (0.83) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8512049 0.88 PSEN1 (0.81) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL955303 0.87 PSEN1 (0.80) 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 8 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-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
EP-2454239-B1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICALS INC (US) 2014-08-13 EP disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 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
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 PSEN1 5/4885PSEN2 10/4885APH1B 4/4885

“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.