SCHEMBL4269013

SCHEMBL4269013

COc1cc(-c2cnc3[nH]c(=O)n(Cc4ccc(Cl)cc4)c3n2)cc(OC)c1OC

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.76
MAP3K11 Q16584 11/20 0.66
MTOR P42345 5/20 0.61
LRRK2 Q5S007 1/20 0.54
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
GRIN1 Q05586 1/20 0.48
GRIN2B Q13224 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL4270835 0.92 FYN (0.82) FYNMAP3K11MTORLRRK2KDM4E
SCHEMBL4272310 0.91 FYN (0.81) FYNMAP3K11MTORLRRK2KDM4E
SCHEMBL4271613 0.91 FYN (0.75) FYNMAP3K11MTORLRRK2KDM4E
SCHEMBL30521879 0.86 FYN (1.00) FYNMAP3K11MTORLRRK2GRIN1
SCHEMBL4266971 0.86 FYN (0.82) FYNMAP3K11MTORLRRK2KDM4E
SCHEMBL4272252 0.86 FYN (1.00) FYNMAP3K11MTORLRRK2GRIN1
SCHEMBL4275364 0.86 FYN (0.76) FYNMAP3K11MTORLRRK2KDM4E
SCHEMBL4272348 0.85 FYN (0.69) FYNMAP3K11MTORLRRK2KDM4E
SCHEMBL4269001 0.85 FYN (0.81) FYNMAP3K11MTORLRRK2KDM4E
SCHEMBL4268299 0.85 FYN (0.81) FYNMAP3K11MTORLRRK2GRIN1

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 6 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
US-20060106022-A1 Imidazo[4,5-b]pyrazinone inhibitors of protein kinases JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-18 US 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
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-20060106022-A1 Imidazo[4,5-b]pyrazinone inhibitors of protein kinases JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-18 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-20060106022-A1 Imidazo[4,5-b]pyrazinone inhibitors of protein kinases AURKA, AURKC, AURKB FYN 645/4885MAP3K11 116/4885MTOR 414/4885

“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.