SCHEMBL3239135

SCHEMBL3239135

NC1=NC(c2cccc(OCCCF)c2)(c2ccnc(C(F)(F)F)c2)c2cccnc21

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.47
KCNH2 Q12809 9/20 0.47
BACE2 Q9Y5Z0 2/20 0.33
CTSD P07339 1/20 0.33
LOXL2 Q9Y4K0 2/20 0.32
CETP P11597 1/20 0.32
LOX P28300 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
SCHEMBL3236744 0.90 BACE1 (0.47) BACE1KCNH2BACE2CETP
SCHEMBL3240556 0.87 BACE1 (0.44) BACE1KCNH2BACE2CTSD
SCHEMBL3245518 0.87 BACE1 (0.39) BACE1KCNH2BACE2CTSD
SCHEMBL3249126 0.86 BACE1 (0.50) BACE1KCNH2BACE2CTSD
SCHEMBL3243763 0.85 BACE1 (0.47) BACE1KCNH2BACE2CTSDLOXL2
Trifluoroacetic Acid SCHEMBL3243544 0.84 BACE1 (0.42) BACE1KCNH2BACE2CETP
SCHEMBL3243555 0.84 BACE1 (0.45) BACE1KCNH2
SCHEMBL3242719 0.83 BACE1 (0.46) BACE1KCNH2BACE2CTSD
SCHEMBL3239191 0.83 BACE1 (0.42) BACE1KCNH2BACE2CTSD
SCHEMBL3357632 0.81 BACE1 (0.52) BACE1KCNH2BACE2CTSDLOXL2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010056195-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 WO claimed
US-20100125087-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 US claimed
US-20100125087-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
WO-2010056195-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 WO disclosed
US-20100125087-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
US-20100125087-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
WO-2010056195-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 WO 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-20100125087-A1 NEW COMPOUNDS 575 PSEN1, PSEN2, BACE1 BACE1 3/4885KCNH2 4652/4885BACE2 12/4885

“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.