SCHEMBL7541370

SCHEMBL7541370

CCOC(=O)c1ncc(C)nc1OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
XBP1 P17861 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TLR9 Q9NR96 1/20 0.44
KDM5B Q9UGL1 2/20 0.43
BRD4 O60885 1/20 0.42
CYP1A2 P05177 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 3/20 0.40
TARBP2 Q15633 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MEN1 O00255 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7541273 0.89 NPSR1 (0.42) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL7543209 0.89 ALDH1A1 (0.43) ALDH1A1MAPTNPC1TP53XBP1
SCHEMBL7547389 0.85 KDM4E (0.41) ALDH1A1MAPTNPC1TP53HSD17B10
SCHEMBL7542145 0.83 PARP10 (0.39) ALDH1A1MAPTNPSR1CYP1A2KDM4E
SCHEMBL9592517 0.81 ALDH1A1 (0.46) ALDH1A1MAPTNPC1TP53XBP1
SCHEMBL29679865 0.81 ALDH1A1 (0.46) ALDH1A1MAPTNPC1TP53XBP1
SCHEMBL19785422 0.80 ALDH1A1 (0.51) ALDH1A1MAPTNPC1TP53XBP1
SCHEMBL18404967 0.80 ALDH1A1 (0.47) ALDH1A1MAPTNPC1TP53XBP1
SCHEMBL30015133 0.78 MAPT (0.46) ALDH1A1MAPTNPC1TP53XBP1
SCHEMBL1761085 0.78 ALDH1A1 (0.49) ALDH1A1MAPTNPC1TP53XBP1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889038-B1 Process for the preparation of alkoxy-or aryloxypyrazine derivatives LONZA AG (CH) 2002-05-29 EP claimed
US-20010012894-A1 Process for preparing alkoxypyrazine derivatives FUCHS RUDOLF (CH) 2001-08-09 US claimed
US-6066736-A Process for preparing alkoxypyrazine derivatives LONZA AG (CH) 2000-05-23 US claimed
US-6291674-B2 REACTING GLYOXAL DERIVATIVE AND AMINOIMIDATE DERIVATIVE TO FORM 3-ALKOXY/ARYLOXY-5-(ALKYL/ARYL)PYRAZINE-2-CARBOXAMIDE; REACTING WITH ALKALI METAL HYPOHALITE TO FORM 3-ALKOXY/ARYLOXY-5-(ALKYL/ARYL)PYRAZINE-2-AMINE LONZA AG (CH) 2001-09-18 US disclosed
US-20010012894-A1 Process for preparing alkoxypyrazine derivatives FUCHS RUDOLF (CH) 2001-08-09 US disclosed
US-6235905-B1 REACTING A GLYOXAL DERIVATIVE WITH A AMINOACETIMIDATE LONZA AG (CH) 2001-05-22 US disclosed
US-6066736-A Process for preparing alkoxypyrazine derivatives LONZA AG (CH) 2000-05-23 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 (1 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-20010012894-A1 Process for preparing alkoxypyrazine derivatives CYP3A5, GMDS, CYP3A43 ALDH1A1 930/4885MAPT 3797/4885NPC1 3274/4885

“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.