SCHEMBL16260613

SCHEMBL16260613

COc1nc(-c2nnc3n2CCCC3(Oc2ccc(F)c(F)c2)C(C)(O)O)ccc1-n1cnc(C)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 12/20 0.42
PSEN2 P49810 12/20 0.42
APH1B Q8WW43 12/20 0.42
NCSTN Q92542 12/20 0.42
APH1A Q96BI3 12/20 0.42
PSENEN Q9NZ42 12/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
APP P05067 2/20 0.40

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
SCHEMBL138897 0.96 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16260614 0.93 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL137904 0.89 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL138892 0.89 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL138076 0.89 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL138106 0.89 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL138110 0.89 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
Phosphoric Acid SCHEMBL153345 0.86 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL138117 0.84 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL138072 0.84 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 2 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

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-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.