SCHEMBL10259703

SCHEMBL10259703

C=C1C(=O)N(C)C(N)=N[C@]1(C)c1cc(NC2CS(=O)(=O)c3ccccc32)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE2 Q9Y5Z0 20/20 0.41
BACE1 P56817 6/20 0.41

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
SCHEMBL568645 0.85 BACE2 (0.56) BACE2
SCHEMBL568646 0.85 BACE2 (0.56) BACE2
SCHEMBL10261209 0.77 BACE2 (0.53) BACE2BACE1
SCHEMBL10259304 0.77 BACE2 (0.42) BACE2BACE1
SCHEMBL10259271 0.77 BACE1 (0.43) BACE2BACE1
SCHEMBL10261554 0.77 BACE2 (0.63) BACE2BACE1
SCHEMBL13836090 0.73 BACE1 (0.55) BACE2BACE1
SCHEMBL13836091 0.73 BACE1 (0.55) BACE2BACE1
SCHEMBL13836088 0.73 BACE1 (0.55) BACE2BACE1
SCHEMBL10267525 0.73 ROCK2 (0.43) BACE2BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035195-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS SIENA BIOTECH S.P.A., AN ITALIAN COMPANY (IT) 2012-02-09 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-20120035195-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS BACE2, BACE1, PSEN2 BACE2 1/4885BACE1 2/4885

“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.