SCHEMBL4167630

SCHEMBL4167630

C[C@@H](c1ccccc1)n1c(=O)[nH]c2ncc(-c3cccc(C#N)c3)nc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.68
MTOR P42345 3/20 0.47
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
MAP3K11 Q16584 3/20 0.43
ATR Q13535 2/20 0.43
PRKDC P78527 1/20 0.43
USP1 O94782 1/20 0.41
XDH P47989 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
MAPK1 P28482 1/20 0.39
MAOB P27338 1/20 0.38
GRM2 Q14416 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL27697191 1.00 FYN (0.68) FYNMTORGRIN1GRIN2BJAK2
SCHEMBL481843 0.89 FYN (0.60) FYNMTORJAK2JAK3MAP3K11
SCHEMBL481842 0.89 FYN (0.60) FYNMTORJAK2JAK3MAP3K11
SCHEMBL975509 0.86 FYN (0.72) FYNMTORJAK2JAK3MAP3K11
SCHEMBL481671 0.85 FYN (0.71) FYNMTORGRIN1GRIN2BJAK2
SCHEMBL481669 0.85 FYN (0.71) FYNMTORJAK2JAK3MAP3K11
SCHEMBL481394 0.83 FYN (0.75) FYNMTORGRIN1GRIN2BJAK2
SCHEMBL481311 0.82 FYN (0.68) FYNMTORMAP3K11ATRPRKDC
SCHEMBL4270853 0.82 FYN (0.70) FYNMTORGRIN1GRIN2BMAP3K11
SCHEMBL481854 0.81 FYN (0.66) FYNMTORJAK2MAP3K11ATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7608622-B2 1 -Phenylerhyl)-6-(3,4,5-trimethoxyphenyl)- 1 ,3-dihydroimidazo[4,5-b]pyrazin-2-one; JANSSEN PHARMACEUTICA NV (BE) 2009-10-27 US claimed
EP-1796467-A4 IMIDAZO{4,5-B}PYRAZINONE INHIBITORS OF PROTEIN KINASES JANSSEN PHARMACEUTICA NV (BE) 2009-07-01 EP claimed
CN-101065016-A Imidazo{4,5-b}pyrazinone inhibitors of protein kinases JANSSEN PHARMACEUTICA NV (BE) 2007-10-31 CN claimed
EP-1796467-A2 IMIDAZO{4,5-B}PYRAZINONE INHIBITORS OF PROTEIN KINASES JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-20 EP claimed
US-20060106022-A1 Imidazo[4,5-b]pyrazinone inhibitors of protein kinases JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-18 US claimed
WO-2006036883-A2 IMIDAZO{4,5-B}PYRAZINONE INHIBITORS OF PROTEIN KINASES JANSSEN PHARMACEUTICA, N.V. (BE) 2006-04-06 WO claimed
US-7608622-B2 1 -Phenylerhyl)-6-(3,4,5-trimethoxyphenyl)- 1 ,3-dihydroimidazo[4,5-b]pyrazin-2-one; JANSSEN PHARMACEUTICA NV (BE) 2009-10-27 US disclosed
US-7608622-B2 1 -Phenylerhyl)-6-(3,4,5-trimethoxyphenyl)- 1 ,3-dihydroimidazo[4,5-b]pyrazin-2-one; JANSSEN PHARMACEUTICA NV (BE) 2009-10-27 US disclosed
EP-1796467-A4 IMIDAZO{4,5-B}PYRAZINONE INHIBITORS OF PROTEIN KINASES JANSSEN PHARMACEUTICA NV (BE) 2009-07-01 EP disclosed
CN-101065016-A Imidazo{4,5-b}pyrazinone inhibitors of protein kinases JANSSEN PHARMACEUTICA NV (BE) 2007-10-31 CN disclosed
EP-1796467-A2 IMIDAZO{4,5-B}PYRAZINONE INHIBITORS OF PROTEIN KINASES JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-20 EP disclosed
US-20060106022-A1 Imidazo[4,5-b]pyrazinone inhibitors of protein kinases JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-18 US disclosed
WO-2006036883-A2 IMIDAZO{4,5-B}PYRAZINONE INHIBITORS OF PROTEIN KINASES JANSSEN PHARMACEUTICA, N.V. (BE) 2006-04-06 WO 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-20060106022-A1 Imidazo[4,5-b]pyrazinone inhibitors of protein kinases AURKA, AURKC, AURKB FYN 645/4885MTOR 414/4885GRIN1 4359/4885

“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.