SCHEMBL4887758

SCHEMBL4887758

N#Cc1cc(-c2cccc(C3(c4ccncc4)N=C(N)N4CCCN=C43)c2)ccc1F

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.68
CTSD P07339 13/20 0.54
BACE2 Q9Y5Z0 13/20 0.54
APP P05067 1/20 0.52
REN P00797 1/20 0.51

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
SCHEMBL4888191 0.91 BACE1 (0.55) BACE1CTSDBACE2APPREN
SCHEMBL4891069 0.86 BACE1 (0.71) BACE1CTSDBACE2APPREN
SCHEMBL8224091 0.86 BACE1 (0.74) BACE1CTSDBACE2APPREN
SCHEMBL4883223 0.86 BACE1 (0.64) BACE1CTSDBACE2APPREN
Hydrochloric Acid SCHEMBL4248444 0.85 BACE1 (0.72) BACE1CTSDBACE2APPREN
SCHEMBL4891609 0.84 BACE1 (0.57) BACE1CTSDBACE2REN
SCHEMBL4883754 0.84 BACE1 (0.77) BACE1CTSDBACE2APPREN
SCHEMBL4888987 0.83 BACE1 (0.78) BACE1CTSDBACE2APPREN
SCHEMBL8214566 0.83 BACE1 (0.81) BACE1CTSDBACE2APPREN
SCHEMBL4884566 0.82 BACE1 (0.76) BACE1CTSDBACE2APPREN

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-20080058349-A1 New Compounds 318 ASTRAZENECA AB (SE) 2008-03-06 US claimed
US-20070299087-A1 New Compounds 319 ASTRAZENECA AB (SE) 2007-12-27 US claimed
US-20080058349-A1 New Compounds 318 ASTRAZENECA AB (SE) 2008-03-06 US disclosed
US-20070299087-A1 New Compounds 319 ASTRAZENECA AB (SE) 2007-12-27 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 (2 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-20070299087-A1 New Compounds 319 PSEN2, PSEN1, MAPT BACE1 4/4885CTSD 2006/4885BACE2 16/4885
US-20080058349-A1 New Compounds 318 PSEN2, PSEN1, MAPT BACE1 5/4885CTSD 1887/4885BACE2 19/4885

“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.