SCHEMBL7543493

SCHEMBL7543493

CCOc1nc(-c2ccccc2)cnc1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.52
NPC1 O15118 6/20 0.46
RAB9A P51151 5/20 0.46
MAP2K3 P46734 1/20 0.46
MAPT P10636 4/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
PRKDC P78527 2/20 0.42
ATR Q13535 2/20 0.42
SQOR Q9Y6N5 1/20 0.41
ASIC3 Q9UHC3 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
KMT2A Q03164 1/20 0.40
RELA Q04206 1/20 0.40
TP53 P04637 1/20 0.40
ATM Q13315 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL7545059 0.86 IKBKB (0.55) IKBKBNPC1RAB9AMAP2K3MAPT
SCHEMBL7541862 0.82 NPC1 (0.45) IKBKBNPC1RAB9AMAPTKDM4E
SCHEMBL7542145 0.76 PARP10 (0.39) IKBKBMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL28266145 0.76 MAPT (0.39) IKBKBMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL11146891 0.76 IKBKB (0.60) IKBKBMAP2K3KDM4EPRKDCATR
SCHEMBL2850738 0.76 IKBKB (0.60) IKBKBMAP2K3MAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL28324236 0.75 IKBKB (0.58) IKBKBMAP2K3PRKDCATRASIC3
SCHEMBL24248259 0.73 ATR (0.67) IKBKBMAP2K3PRKDCATRATM
SCHEMBL6619632 0.73 IKBKB (0.64) IKBKBMAP2K3PRKDCATRASIC3
SCHEMBL14932095 0.72 ALDH1A1 (0.58) NPC1RAB9AMAPTKDM4EALDH1A1

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 IKBKB 2196/4885NPC1 3274/4885RAB9A 3949/4885

“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.