SCHEMBL568652

SCHEMBL568652

CCCC1(c2cccc([N+](=O)[O-])c2)CC(=O)N(C)C(NC(=O)OC(C)(C)C)=N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALOX5 P09917 1/20 0.39
BACE1 P56817 3/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
LMNA P02545 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NR3C2 P08235 1/20 0.35
ALDH1A1 P00352 1/20 0.34
DRD2 P14416 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33

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
SCHEMBL568651 1.00 MAPT (0.41) MAPTSMN1; SMN2NPC1RAB9AALOX5
SCHEMBL296639 0.93 MAPT (0.42) MAPTSMN1; SMN2NPC1RAB9AALOX5
SCHEMBL296638 0.93 MAPT (0.42) MAPTSMN1; SMN2NPC1RAB9AALOX5
SCHEMBL297851 0.86 BACE1 (0.40) BACE1
SCHEMBL297852 0.86 BACE1 (0.40) BACE1
SCHEMBL299252 0.86 MAPT (0.45) MAPTSMN1; SMN2NPC1RAB9AALOX5
SCHEMBL299253 0.86 MAPT (0.45) MAPTSMN1; SMN2NPC1RAB9AALOX5
SCHEMBL298567 0.79 MAPT (0.43) MAPTSMN1; SMN2NPC1RAB9AALOX5
SCHEMBL298566 0.79 MAPT (0.43) MAPTSMN1; SMN2NPC1RAB9AALOX5
SCHEMBL10198034 0.79 ALDH1A1 (0.39) MAPTSMN1; SMN2NPC1RAB9ABACE1

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 MAPT 241/4885SMN1; SMN2 512/4885NPC1 138/4885
US-20120035195-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS BACE2, BACE1, PSEN2 MAPT 241/4885SMN1; SMN2 512/4885NPC1 138/4885

“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.