SCHEMBL4168679

SCHEMBL4168679

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

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTOR P42345 12/20 0.69
PIK3CA P42336 1/20 0.53
FYN P06241 2/20 0.53
LDHA P00338 1/20 0.51
LDHB P07195 1/20 0.51
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
P2RX3 P56373 1/20 0.46
ATR Q13535 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
MAP3K11 Q16584 1/20 0.44

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
SCHEMBL4017378 0.92 MTOR (0.67) MTORPIK3CAFYNATRADORA3
SCHEMBL2206879 0.85 MTOR (0.58) MTORPIK3CAFYNMAP3K11
SCHEMBL4274002 0.84 MTOR (0.72) MTORPIK3CAFYNMAP3K11
SCHEMBL4268540 0.83 MTOR (0.67) MTORFYNADORA3MAP3K11
SCHEMBL4266986 0.83 MTOR (0.74) MTORFYNADORA3MAP3K11
SCHEMBL4283434 0.82 MTOR (0.71) MTORFYNSMN1; SMN2
SCHEMBL4169485 0.81 MTOR (0.64) MTORPIK3CAFYNSMN1; SMN2MAP3K11
SCHEMBL4013052 0.79 MAP3K11 (0.71) MTORFYNMAP3K11
SCHEMBL4268568 0.78 FYN (0.69) MTORFYNADORA3MAP3K11
SCHEMBL13657423 0.78 MTOR (0.63) MTORFYNSMN1; SMN2MAP3K11

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 11 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
CN-101065016-A Imidazo{4,5-b}pyrazinone inhibitors of protein kinases JANSSEN PHARMACEUTICA NV (BE) 2007-10-31 CN 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
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 MTOR 414/4885PIK3CA 265/4885FYN 645/4885

“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.