SCHEMBL4887664

SCHEMBL4887664

COc1cccc(-c2cccc(C3(c4ccncc4)N=C(N)N4CC(F)(F)CN=C43)c2)c1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 1.00
CTSD P07339 4/20 0.50
BACE2 Q9Y5Z0 4/20 0.50

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
SCHEMBL8223938 0.89 BACE1 (0.80) BACE1CTSDBACE2
SCHEMBL4887760 0.86 BACE1 (1.00) BACE1CTSDBACE2
SCHEMBL4881409 0.85 BACE1 (1.00) BACE1CTSDBACE2
SCHEMBL4890164 0.84 BACE1 (0.80) BACE1CTSDBACE2
SCHEMBL5096595 0.84 BACE1 (0.76) BACE1CTSDBACE2
Acetic Acid SCHEMBL4305088 0.84 BACE1 (0.73) BACE1CTSDBACE2
SCHEMBL8228647 0.81 BACE1 (0.80) BACE1CTSDBACE2
SCHEMBL8225559 0.81 BACE1 (0.68) BACE1CTSDBACE2
SCHEMBL5100312 0.81 BACE1 (0.81) BACE1CTSDBACE2
SCHEMBL8230264 0.80 BACE1 (0.67) BACE1CTSDBACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214577-A1 New Compounds 320 ASTRAZENECA AB (SE) 2008-09-04 US claimed
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-20080214577-A1 New Compounds 320 ASTRAZENECA AB (SE) 2008-09-04 US disclosed
US-20080214577-A1 New Compounds 320 ASTRAZENECA AB (SE) 2008-09-04 US disclosed
US-20080214577-A1 New Compounds 320 ASTRAZENECA AB (SE) 2008-09-04 US disclosed
US-20080058349-A1 New Compounds 318 ASTRAZENECA AB (SE) 2008-03-06 US disclosed
US-20080058349-A1 New Compounds 318 ASTRAZENECA AB (SE) 2008-03-06 US disclosed
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
US-20070299087-A1 New Compounds 319 ASTRAZENECA AB (SE) 2007-12-27 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 (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-20070299087-A1 New Compounds 319 PSEN2, PSEN1, MAPT BACE1 4/4885CTSD 2006/4885BACE2 16/4885
US-20080214577-A1 New Compounds 320 PSEN1, PSEN2, MAPT BACE1 5/4885CTSD 2212/4885BACE2 19/4885
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.