SCHEMBL1360147

SCHEMBL1360147

COc1cc(Nc2cc(C(F)(F)F)nn3cc(C)nc23)ccc1-c1cnc(C)o1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 8/20 0.43
PSEN2 P49810 8/20 0.43
APH1B Q8WW43 8/20 0.43
NCSTN Q92542 8/20 0.43
APH1A Q96BI3 8/20 0.43
PSENEN Q9NZ42 8/20 0.43
TP53 P04637 2/20 0.39
IMPDH2 P12268 9/20 0.38
GAK O14976 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL16418158 0.82 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1360167 0.82 IMPDH2 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2455975 0.77 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2117096 0.75 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2118964 0.74 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1359605 0.71 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL286298 0.71 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16418224 0.70 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2116356 0.70 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16594123 0.70 PSEN1 (0.48) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150094311-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS CELLZOME LTD (GB) 2015-04-02 US disclosed
US-8946426-B2 Substituted bicyclic heterocyclic compounds as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
EP-2393804-B1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICALS INC (US) 2014-04-16 EP disclosed
US-20110281881-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2011-11-17 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 (2 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-20110281881-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A PSEN1 5/4885PSEN2 10/4885APH1B 4/4885
US-20150094311-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS 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.