SCHEMBL138114

SCHEMBL138114

COc1cc(-c2nnc3n2CCCC3(Oc2cc(F)c(F)c(F)c2)C(=O)NCC(F)(F)F)ccc1-c1cnc(C)o1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 9/20 0.71
PSEN2 P49810 9/20 0.71
APH1B Q8WW43 9/20 0.71
NCSTN Q92542 9/20 0.71
APH1A Q96BI3 9/20 0.71
PSENEN Q9NZ42 9/20 0.71
SIK2 Q9H0K1 4/20 0.33
SIK3 Q9Y2K2 4/20 0.33
SIK1 P57059 3/20 0.33
PDE10A Q9Y233 1/20 0.32
RET P07949 1/20 0.32
TP53 P04637 2/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
POLB P06746 2/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL138872 0.92 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL139089 0.88 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15091862 0.88 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL155396 0.87 PSEN1 (0.79) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL139580 0.87 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL157083 0.87 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL155986 0.87 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL156212 0.84 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL139400 0.83 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15092134 0.82 PSEN1 (0.75) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901309-B2 Fused triazoles for the treatment or prophylaxis of mild cognitive impairment TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-02 US disclosed
US-8901309-B2 Fused triazoles for the treatment or prophylaxis of mild cognitive impairment TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-02 US disclosed
US-8901309-B2 Fused triazoles for the treatment or prophylaxis of mild cognitive impairment TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-02 US disclosed
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-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-8822699-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-02 US disclosed
US-20130178497-A1 FUSED TRIAZOLES FOR THE TREATMENT OR PROPHYLAXIS OF MILD COGNITIVE IMPAIRMENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-11 US disclosed
US-20130178497-A1 FUSED TRIAZOLES FOR THE TREATMENT OR PROPHYLAXIS OF MILD COGNITIVE IMPAIRMENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-11 US disclosed
US-20130178497-A1 FUSED TRIAZOLES FOR THE TREATMENT OR PROPHYLAXIS OF MILD COGNITIVE IMPAIRMENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-11 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-20120059030-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-08 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-20130178497-A1 FUSED TRIAZOLES FOR THE TREATMENT OR PROPHYLAXIS OF MILD COGNITIVE IMPAIRMENT BACE1, BACE2, APP PSEN1 4/4885PSEN2 5/4885APH1B 7/4885
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

“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.