SCHEMBL569100

SCHEMBL569100

CCC[C@](N)(CC(=O)OC)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
PTPRC P08575 1/20 0.43
MAPT P10636 4/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HIF1A Q16665 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MAPK1 P28482 2/20 0.41
POLB P06746 2/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41
THPO P40225 1/20 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
SCHEMBL569101 1.00 MEN1 (0.47) MEN1KMT2APTPRCMAPTRAB9A
SCHEMBL287261 0.91 MEN1 (0.48) MEN1KMT2APTPRCMAPTRAB9A
SCHEMBL287262 0.91 MEN1 (0.48) MEN1KMT2APTPRCMAPTRAB9A
SCHEMBL10197990 0.86 PTPRC (0.46) MEN1KMT2APTPRCMAPTRAB9A
SCHEMBL287287 0.84 MEN1 (0.50) MEN1KMT2APTPRCMAPTRAB9A
SCHEMBL287286 0.84 MEN1 (0.50) MEN1KMT2APTPRCMAPTRAB9A
SCHEMBL569219 0.78 MEN1 (0.41) MEN1KMT2APTPRCMAPTRAB9A
SCHEMBL569217 0.78 MEN1 (0.41) MEN1KMT2APTPRCMAPTRAB9A
SCHEMBL569218 0.78 MEN1 (0.41) MEN1KMT2APTPRCMAPTRAB9A
SCHEMBL16971173 0.78 MEN1 (0.49) MEN1KMT2APTPRCMAPTRAB9A

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 8 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
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 MEN1 408/4885KMT2A 1384/4885PTPRC 3262/4885
US-20120035195-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS BACE2, BACE1, PSEN2 MEN1 408/4885KMT2A 1384/4885PTPRC 3262/4885

“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.