SCHEMBL569019

SCHEMBL569019

COC(=O)C(C)(C)[C@](C)(N[S@@+]([O-])C(C)(C)C)c1cc(Br)ccc1F

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
BACE1 P56817 1/20 0.31

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
SCHEMBL287143 0.83 HTT (0.41) LMNAKMT2AALDH1A1L3MBTL1
SCHEMBL287144 0.83 HTT (0.41) LMNAKMT2AALDH1A1L3MBTL1
SCHEMBL287142 0.83 HTT (0.41) LMNAKMT2AALDH1A1L3MBTL1
SCHEMBL568610 0.83 NPSR1 (0.38) KMT2ASMN1; SMN2BACE1
SCHEMBL1172996 0.82 BACE1 (0.31) LMNAKMT2ASMN1; SMN2ALDH1A1BACE1
SCHEMBL2584644 0.82 AR (0.35) PTGDR2LMNASMN1; SMN2ALDH1A1BACE1
SCHEMBL1976378 0.81 CES2 (0.34) PTGDR2LMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL1976375 0.81 CES2 (0.34) PTGDR2LMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL1976376 0.81 CES2 (0.34) PTGDR2LMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL1979228 0.79 BACE1 (0.32) BACE1

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 5 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
EP-2603496-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-06-19 EP disclosed
WO-2012019966-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO 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 PTGDR2 1261/4885LMNA 3282/4885KMT2A 1384/4885
US-20120035195-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS BACE2, BACE1, PSEN2 PTGDR2 1261/4885LMNA 3282/4885KMT2A 1384/4885

“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.