SCHEMBL13865998

SCHEMBL13865998

COC1CCCN(Cc2cc3c4nc(c(=O)[nH]c4c2)-c2cccc4c(=O)n(sc24)CC2CCC(CO3)N2)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 11/20 0.47
▸ LTA4H P09960 3/20 0.37
▸ CDK1 P06493 2/20 0.32
▸ CDK2 P24941 2/20 0.32
▸ CDK6 Q00534 2/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ CDK5 Q00535 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ CDC7 O00311 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ CSNK2B P67870 1/20 0.32
▸ CSNK2A1 P68400 1/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ PARP1 P09874 1/20 0.31

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
SCHEMBL13865978 0.92 CDK4 (0.46) CDK4CDK1CDK2CDK6GSK3B
SCHEMBL13866000 0.91 CDK4 (0.54) CDK4CDK1CDK2CDK6GSK3B
SCHEMBL13866042 0.85 CDK4 (0.48) CDK4LTA4HCDK1CDK2CDK6
SCHEMBL13866039 0.84 CDK4 (0.48) CDK4LTA4HCDK1CDK2CDK6
SCHEMBL13866038 0.84 CDK4 (0.48) CDK4LTA4HCDK1CDK2CDK6
SCHEMBL13866035 0.84 CDK4 (0.48) CDK4LTA4HCDK1CDK2CDK6
SCHEMBL13866025 0.84 CDK4 (0.46) CDK4LTA4HCDK1CDK2CDK6
SCHEMBL13865991 0.81 CDK4 (0.45) CDK4LTA4HCDK1CDK2CDK6
SCHEMBL13866004 0.77 CDK4 (0.50) CDK4CDK1CDK2CDK6GSK3B
SCHEMBL13865990 0.77 RAB9A (0.33) CDK4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137597-A1 Novel quinoxalinone derivatives MSD K.K. (JP) 2009-05-28 — — US disclosed
US-20090137597-A1 Novel quinoxalinone derivatives MSD K.K. (JP) 2009-05-28 — — US disclosed
US-7388010-B2 Quinoxalinone derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-06-17 — — US disclosed
US-7388010-B2 Quinoxalinone derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-06-17 — — 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-20090137597-A1 Novel quinoxalinone derivatives NDUFB1, NDUFB6, NDUFB7 CDK4 2691/4885LTA4H 2162/4885CDK1 1569/4885

“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.

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