SCHEMBL139021

SCHEMBL139021

COc1cc(-c2nnc3n2CCCC3(Sc2ccc(Cl)c(Cl)c2)C(C)(C)O)ccc1-c1cnc(C)o1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 7/20 0.62
▸ PSEN2 P49810 7/20 0.62
▸ APH1B Q8WW43 7/20 0.62
▸ NCSTN Q92542 7/20 0.62
▸ APH1A Q96BI3 7/20 0.62
▸ PSENEN Q9NZ42 7/20 0.62
▸ NR1I2 O75469 1/20 0.32
▸ HSD11B1 P28845 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31

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
SCHEMBL138071 0.90 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL139606 0.84 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL155495 0.83 PSEN1 (0.88) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL137908 0.81 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL138912 0.81 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL138986 0.80 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL139391 0.79 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL139365 0.79 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL154824 0.78 PSEN1 (0.89) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL139444 0.78 PSEN1 (0.89) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20120059030-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.

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