SCHEMBL139302

SCHEMBL139302

COc1cc(-c2nnc3n2CCCN3C(=O)c2ccc(F)cc2)ccc1-n1cnc(C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 20/20 1.00
PSEN2 P49810 20/20 1.00
APH1B Q8WW43 20/20 1.00
NCSTN Q92542 20/20 1.00
APH1A Q96BI3 20/20 1.00
PSENEN Q9NZ42 20/20 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
SCHEMBL137789 0.88 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12914083 0.88 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16269992 0.82 PSEN1 (0.84) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12914085 0.81 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12914088 0.81 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12914082 0.81 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12914033 0.81 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12914065 0.81 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12914054 0.81 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12914012 0.81 PSEN1 (0.86) 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-20140350260-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-11-27 US disclosed
US-20140350260-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-11-27 US disclosed
US-8822699-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-02 US disclosed
US-8822699-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-02 US disclosed
US-8450343-B2 Gamma secretase modulators SCHERING CORPORATION 2013-05-28 US disclosed
US-20120059030-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-08 US disclosed
US-20120059030-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-08 US disclosed
US-20110015190-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-20 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 (3 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-20120059030-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BACE1, BACE2, APP PSEN1 5/4885PSEN2 8/4885APH1B 6/4885
US-20140350260-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BACE1, BACE2, APP PSEN1 5/4885PSEN2 8/4885APH1B 6/4885
US-20110015190-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 PSEN1 3/4885PSEN2 4/4885APH1B 6/4885

“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.