Sugi Predict

Sugi Predict / Compounds / SCHEMBL155168

SCHEMBL155168

SCHEMBL155168

CCOC(=O)C1(Oc2cccc(C(F)(F)F)c2)CCCn2c(-c3ccc(-c4cnc(C)o4)c(OC)c3)nnc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 6/20 0.56
▸ PSEN2 P49810 6/20 0.56
▸ APH1B Q8WW43 6/20 0.56
▸ NCSTN Q92542 6/20 0.56
▸ APH1A Q96BI3 6/20 0.56
▸ PSENEN Q9NZ42 6/20 0.56
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CTSA P10619 2/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RAF1 P04049 1/20 0.32
▸ BRAF P15056 1/20 0.32
▸ PTGES O14684 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32

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
SCHEMBL153028 0.92 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL158911 0.88 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL157880 0.87 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL155986 0.87 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL157083 0.87 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL139004 0.86 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL155977 0.86 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL156304 0.85 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL157114 0.85 PSEN1 (0.77) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL138049 0.85 PSEN1 (0.77) 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 5 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-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-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

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.