SCHEMBL2453276

SCHEMBL2453276

COc1cc(Nc2cccn3c(CN(C)C)c(-c4ccccc4)nc23)ccc1-n1cnc(C)n1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 18/20 0.56
PSEN2 P49810 18/20 0.56
APH1B Q8WW43 18/20 0.56
NCSTN Q92542 18/20 0.56
APH1A Q96BI3 18/20 0.56
PSENEN Q9NZ42 18/20 0.56
IMPDH2 P12268 1/20 0.38

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
SCHEMBL2453037 0.89 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2451693 0.83 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2453178 0.82 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2456281 0.79 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2459870 0.79 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2458703 0.78 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15290441 0.76 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2456240 0.74 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2456641 0.72 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12306434 0.71 PSEN1 (0.39) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379552-B1 SUBSTITUTED BICYCLIC IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICALS INC (US) 2014-02-26 EP disclosed
US-8546440-B2 Substituted bicyclic imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2013-10-01 US disclosed
US-20110237580-A1 SUBSTITUTED BICYCLIC IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS Janssen Pharmaceuticals, Inc. 2011-09-29 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-20110237580-A1 SUBSTITUTED BICYCLIC IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 PSEN1 3/4885PSEN2 4/4885APH1B 8/4885

“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.