SCHEMBL1360653

SCHEMBL1360653

COc1cc(Nc2nccc3c2nc(-c2ccc(F)cc2F)n3C)ccc1-c1ocnc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.52
PSEN2 P49810 5/20 0.52
APH1B Q8WW43 5/20 0.52
NCSTN Q92542 5/20 0.52
APH1A Q96BI3 5/20 0.52
PSENEN Q9NZ42 5/20 0.52
IMPDH2 P12268 1/20 0.42
IMPDH1 P20839 1/20 0.42
KCNH2 Q12809 2/20 0.38
PIK3CA P42336 2/20 0.35
FYN P06241 1/20 0.35
CDK9 P50750 6/20 0.35
BRD4 O60885 1/20 0.35
CCNT1 O60563 5/20 0.34
MET P08581 3/20 0.34
TNIK Q9UKE5 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL16593856 0.86 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1360143 0.84 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1358609 0.82 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1360565 0.81 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL412697 0.80 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16594137 0.77 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1359384 0.77 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1360551 0.76 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1361000 0.76 IMPDH2 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1360419 0.76 PSEN1 (0.51) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946426-B2 Substituted bicyclic heterocyclic compounds as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US 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 (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-20110281881-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.