SCHEMBL568560

SCHEMBL568560

COC(=O)C(C)(C)[C@](C)(N[S@+]([O-])C(C)(C)C)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.44
ALDH1A1 P00352 6/20 0.40
MAPT P10636 6/20 0.40
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
LMNA P02545 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
HPGD P15428 2/20 0.38
HSP90AA1 P07900 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38

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
SCHEMBL568559 1.00 PTPRC (0.44) PTPRCALDH1A1MAPTMEN1KMT2A
SCHEMBL568561 1.00 PTPRC (0.44) PTPRCALDH1A1MAPTMEN1KMT2A
SCHEMBL287142 0.80 HTT (0.41) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL287144 0.80 HTT (0.41) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL287143 0.80 HTT (0.41) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL27901488 0.79 PTPRC (0.44) PTPRCALDH1A1MAPTMEN1KMT2A
SCHEMBL287233 0.78 MEN1 (0.45) PTPRCALDH1A1MAPTMEN1KMT2A
SCHEMBL287231 0.78 MEN1 (0.45) PTPRCALDH1A1MAPTMEN1KMT2A
SCHEMBL287232 0.78 MEN1 (0.45) PTPRCALDH1A1MAPTMEN1KMT2A
SCHEMBL569162 0.78 PTPRC (0.50) PTPRCALDH1A1MAPTMEN1KMT2A

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 PTPRC 3262/4885ALDH1A1 326/4885MAPT 241/4885
US-20120035195-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS BACE2, BACE1, PSEN2 PTPRC 3262/4885ALDH1A1 326/4885MAPT 241/4885

“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.