SCHEMBL13866197

SCHEMBL13866197

COc1ccccc1-c1cc2c3nc(c(=O)[nH]c3c1)-c1cccc3c(=O)n([nH]c13)CCN1CC(C[C@H]1C)O2

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 10/20 0.78
▸ CDK2 P24941 3/20 0.78
▸ CDK1 P06493 2/20 0.78
▸ CDK6 Q00534 2/20 0.78
▸ GSK3B P49841 1/20 0.78
▸ CDK5 Q00535 1/20 0.78
▸ PRKCZ Q05513 1/20 0.34
▸ TNKS2 Q9H2K2 1/20 0.32
▸ CYP1A1 P04798 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP1B1 Q16678 1/20 0.31
▸ DHODH Q02127 1/20 0.31
▸ NPY5R Q15761 1/20 0.31
▸ TRPV1 Q8NER1 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ATM Q13315 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
SCHEMBL13866189 0.92 CDK4 (0.74) CDK4CDK2CDK1CDK6GSK3B
SCHEMBL13866185 0.91 CDK4 (0.82) CDK4CDK2CDK1CDK6GSK3B
SCHEMBL13866191 0.91 CDK4 (0.76) CDK4CDK2CDK1CDK6GSK3B
SCHEMBL13866184 0.90 CDK4 (0.75) CDK4CDK2CDK1CDK6GSK3B
SCHEMBL13866180 0.89 CDK4 (0.81) CDK4CDK2CDK1CDK6GSK3B
SCHEMBL13866152 0.89 CDK4 (0.81) CDK4CDK2CDK1CDK6GSK3B
SCHEMBL13866193 0.88 CDK4 (0.75) CDK4CDK2CDK1CDK6GSK3B
SCHEMBL13866163 0.88 CDK4 (0.78) CDK4CDK2CDK1CDK6GSK3B
SCHEMBL13866190 0.88 CDK4 (0.80) CDK4CDK2CDK1CDK6GSK3B
SCHEMBL13866238 0.88 CDK4 (1.00) CDK4CDK2CDK1CDK6GSK3B

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 2691/4885CDK2 1879/4885CDK1 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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