SCHEMBL13865814

SCHEMBL13865814

C[C@@H]1C[C@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(c(CN4CCCCC4)ccc3[nH]c1=O)O2

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 10/20 0.69
▸ CDK1 P06493 2/20 0.69
▸ CDK2 P24941 2/20 0.69
▸ CDK6 Q00534 2/20 0.69
▸ GSK3B P49841 1/20 0.69
▸ CDK5 Q00535 1/20 0.69
▸ PARP1 P09874 2/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ GRIN2B Q13224 1/20 0.30

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
SCHEMBL13866222 1.00 CDK4 (0.69) CDK4CDK1CDK2CDK6GSK3B
SCHEMBL13866230 0.94 CDK4 (0.68) CDK4CDK1CDK2CDK6GSK3B
SCHEMBL13866235 0.91 CDK4 (0.65) CDK4CDK1CDK2CDK6GSK3B
SCHEMBL13865806 0.88 CDK4 (0.70) CDK4CDK1CDK2CDK6GSK3B
SCHEMBL13865811 0.87 CDK4 (0.68) CDK4CDK1CDK2CDK6GSK3B
SCHEMBL13866278 0.87 CDK4 (0.68) CDK4CDK1CDK2CDK6GSK3B
SCHEMBL13865807 0.87 CDK4 (0.69) CDK4CDK1CDK2CDK6GSK3B
SCHEMBL13866287 0.87 CDK4 (0.69) CDK4CDK1CDK2CDK6GSK3B
SCHEMBL13865805 0.87 CDK4 (0.69) CDK4CDK1CDK2CDK6GSK3B
SCHEMBL13866288 0.87 CDK4 (0.69) CDK4CDK1CDK2CDK6GSK3B

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 2691/4885CDK1 1569/4885CDK2 1879/4885

“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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