SCHEMBL568898

SCHEMBL568898

CCC[C@@]1(c2cccc(NC(=O)C3(C(F)(F)F)CC3)c2)CC(=O)N(C)C(N)=N1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.45
BACE2 Q9Y5Z0 5/20 0.42
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36

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
SCHEMBL568075 0.84 BACE1 (0.61) BACE1
SCHEMBL297999 0.80 BACE1 (0.58) BACE1BACE2
SCHEMBL298465 0.79 BACE1 (0.53) BACE1BACE2
SCHEMBL298167 0.78 BACE1 (0.73) BACE1
SCHEMBL569049 0.77 BACE1 (0.42) BACE1BACE2AURKARPS6KB1
SCHEMBL568225 0.77 BACE1 (0.48) BACE1BACE2
SCHEMBL298397 0.77 BACE1 (0.47) BACE1BACE2
SCHEMBL297018 0.77 BACE1 (0.56) BACE1BACE2
SCHEMBL2884740 0.77 BACE1 (0.49) BACE1
SCHEMBL2884737 0.76 BACE1 (0.44) BACE1BACE2

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-20140336208-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-11-13 US disclosed
US-8815881-B2 1,4,5,6-tetrahydro-pyrimidin-2-ylamine compounds HOFFMANN-LA ROCHE INC. (US) 2014-08-26 US disclosed
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
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 (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-20140336208-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS BACE2, BACE1, PSEN2 BACE1 2/4885BACE2 1/4885AURKA 4170/4885
US-20120035195-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS BACE2, BACE1, PSEN2 BACE1 2/4885BACE2 1/4885AURKA 4170/4885

“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.