SCHEMBL4017378

SCHEMBL4017378

CC(=O)c1cccc(-c2cnc3[nH]c(=O)n(Cc4ccccc4)c3n2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 13/20 0.67
FYN P06241 2/20 0.54
PIK3CA P42336 1/20 0.47
ATR Q13535 1/20 0.46
ADORA3 P0DMS8 1/20 0.45
MAP3K11 Q16584 2/20 0.45
PLK4 O00444 1/20 0.45
DCLK1 O15075 1/20 0.45
ROCK2 O75116 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
PAK4 O96013 1/20 0.45
CHEK2 O96017 1/20 0.45
INSR P06213 1/20 0.45
CDK1 P06493 1/20 0.45
FES P07332 1/20 0.45
ROS1 P08922 1/20 0.45
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
FER P16591 1/20 0.45

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
SCHEMBL4168679 0.92 MTOR (0.69) MTORFYNPIK3CAATRADORA3
SCHEMBL4268540 0.83 MTOR (0.67) MTORFYNADORA3MAP3K11
SCHEMBL4266986 0.83 MTOR (0.74) MTORFYNADORA3MAP3K11
SCHEMBL2206879 0.83 MTOR (0.58) MTORFYNPIK3CAMAP3K11CDK8
SCHEMBL4274002 0.80 MTOR (0.72) MTORFYNPIK3CAMAP3K11
SCHEMBL4283434 0.80 MTOR (0.71) MTORFYN
SCHEMBL4169485 0.79 MTOR (0.64) MTORFYNPIK3CAMAP3K11
SCHEMBL4013052 0.79 MAP3K11 (0.71) MTORFYNMAP3K11
SCHEMBL4268568 0.79 FYN (0.69) MTORFYNADORA3MAP3K11
SCHEMBL13657423 0.79 MTOR (0.63) MTORFYNMAP3K11

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 9 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
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
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 645/4885PIK3CA 265/4885

“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.