SCHEMBL7545059

SCHEMBL7545059

COc1nc(-c2ccccc2)cnc1C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.55
MAP2K3 P46734 1/20 0.48
MAPT P10636 3/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ATR Q13535 5/20 0.45
PRKDC P78527 4/20 0.45
PARP1 P09874 1/20 0.45
SQOR Q9Y6N5 3/20 0.44
LIMK1 P53667 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ASIC3 Q9UHC3 1/20 0.42
ATM Q13315 1/20 0.41
PDE4B Q07343 1/20 0.41
KMT2A Q03164 1/20 0.41
CASP1 P29466 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
SCHEMBL7543493 0.86 IKBKB (0.52) IKBKBMAP2K3MAPTALDH1A1SMN1; SMN2
SCHEMBL6057019 0.85 PDCD1 (0.48) IKBKBMAPTALDH1A1GLAGAA
SCHEMBL7542109 0.81 MAPT (0.44) IKBKBMAPTALDH1A1GLAGAA
SCHEMBL2850738 0.78 IKBKB (0.60) IKBKBMAP2K3MAPTALDH1A1ATR
SCHEMBL11146891 0.78 IKBKB (0.60) IKBKBMAP2K3ATRPRKDCPARP1
SCHEMBL29131667 0.77 SQOR (0.59) MAPTALDH1A1GLAGAASMN1; SMN2
SCHEMBL30505741 0.77 SQOR (0.59) MAPTALDH1A1GLAGAASMN1; SMN2
Hydrochloric Acid SCHEMBL28324236 0.77 IKBKB (0.58) IKBKBMAP2K3ATRPRKDCASIC3
SCHEMBL21722387 0.77 IKBKB (0.46) IKBKBMAPTALDH1A1GLAGAA
SCHEMBL2581392 0.76 MAPT (0.51) MAPTALDH1A1GLAGAASMN1; SMN2

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 2196/4885MAP2K3 4255/4885MAPT 3797/4885

“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.