SCHEMBL569162

SCHEMBL569162

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.50
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 2/20 0.45
NPC1 O15118 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
POLB P06746 2/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 2/20 0.43
NR3C2 P08235 1/20 0.43
MAPK1 P28482 2/20 0.42
HTT P42858 2/20 0.42
HSP90AA1 P07900 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL569163 1.00 PTPRC (0.50) PTPRCMEN1KMT2AALDH1A1MAPT
SCHEMBL246681 0.86 PTPRC (0.52) PTPRCMEN1KMT2AALDH1A1MAPT
SCHEMBL10197982 0.85 PTPRC (0.54) PTPRCMEN1KMT2AALDH1A1MAPT
SCHEMBL7664781 0.83 PTPRC (0.55) PTPRCMEN1KMT2AALDH1A1MAPT
SCHEMBL3577016 0.81 PTPRC (0.52) PTPRCMEN1KMT2AALDH1A1MAPT
SCHEMBL6159649 0.81 NR3C2 (0.48) PTPRCMEN1KMT2AALDH1A1MAPT
SCHEMBL15055107 0.79 PTPRC (0.50) PTPRCMEN1KMT2AALDH1A1MAPT
SCHEMBL3061495 0.78 ALDH1A1 (0.53) PTPRCMEN1KMT2AALDH1A1MAPT
SCHEMBL568561 0.78 PTPRC (0.44) PTPRCMEN1KMT2AALDH1A1MAPT
SCHEMBL568560 0.78 PTPRC (0.44) PTPRCMEN1KMT2AALDH1A1MAPT

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 9 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-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-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
CN-103068806-A 1,4,5,6-tetrahydro-pyrimidin-2-ylamine compounds SIENA BIOTECH SPA 2013-04-24 CN disclosed
WO-2012019966-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO 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 3262/4885MEN1 408/4885KMT2A 1384/4885
US-20120035195-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS BACE2, BACE1, PSEN2 PTPRC 3262/4885MEN1 408/4885KMT2A 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.