SCHEMBL4283434

SCHEMBL4283434

O=c1[nH]c2ncc(-c3cccnc3)nc2n1Cc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTOR P42345 9/20 0.71
FYN P06241 1/20 0.52
GRIN1 Q05586 7/20 0.51
GRIN2B Q13224 7/20 0.51
CYP2E1 P05181 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2A6 P11509 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2B6 P20813 1/20 0.49
CYP2C19 P33261 1/20 0.49
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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 0.82 MTOR (0.69) MTORFYNSMN1; SMN2
SCHEMBL4273901 0.81 MTOR (0.69) MTORFYNKDM4EALDH1A1SMN1; SMN2
SCHEMBL4017378 0.80 MTOR (0.67) MTORFYN
SCHEMBL4266986 0.80 MTOR (0.74) MTORFYNGRIN1GRIN2BCYP3A4
SCHEMBL4268540 0.80 MTOR (0.67) MTORFYNALDH1A1
SCHEMBL4013123 0.80 MTOR (0.69) MTORFYNGRIN1GRIN2BKDM4E
SCHEMBL4268568 0.80 FYN (0.69) MTORFYNGRIN1GRIN2BKDM4E
SCHEMBL4275364 0.79 FYN (0.76) MTORFYNKDM4EALDH1A1SMN1; SMN2
SCHEMBL481672 0.79 MTOR (0.72) MTOR
SCHEMBL2506951 0.78 MTOR (0.91) MTOR

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.