SCHEMBL4266986

SCHEMBL4266986

COc1cccc(-c2cnc3[nH]c(=O)n(Cc4ccccc4)c3n2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.74
FYN P06241 1/20 0.72
GRIN1 Q05586 5/20 0.53
GRIN2B Q13224 5/20 0.53
MAP3K11 Q16584 3/20 0.52
GABRA1 P14867 1/20 0.51
GABRA2 P47869 1/20 0.51
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 2/20 0.51
HPGD P15428 1/20 0.51
XBP1 P17861 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TNIK Q9UKE5 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
USP2 O75604 2/20 0.48
LMNA P02545 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 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
SCHEMBL4268568 0.92 FYN (0.69) MTORFYNGRIN1GRIN2BMAP3K11
SCHEMBL4268540 0.88 MTOR (0.67) MTORFYNMAP3K11ALDH1A1KMT2A
SCHEMBL4013052 0.85 MAP3K11 (0.71) MTORFYNMAP3K11
SCHEMBL4272252 0.84 FYN (1.00) MTORFYNGRIN1GRIN2BMAP3K11
SCHEMBL30521879 0.84 FYN (1.00) MTORFYNGRIN1GRIN2BMAP3K11
SCHEMBL4272257 0.84 FYN (0.65) MTORFYNGRIN1GRIN2BMAP3K11
SCHEMBL4017378 0.83 MTOR (0.67) MTORFYNMAP3K11ADORA3
SCHEMBL4270835 0.83 FYN (0.82) MTORFYNMAP3K11ALDH1A1KMT2A
SCHEMBL4013123 0.83 MTOR (0.69) MTORFYNGRIN1GRIN2BMAP3K11
SCHEMBL4168679 0.83 MTOR (0.69) MTORFYNMAP3K11ADORA3

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 MTOR 414/4885FYN 645/4885GRIN1 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.