SCHEMBL13866147

SCHEMBL13866147

CN1CCN(CCc2ccc3[nH]c(=O)c4nc3c2OCCCCCn2sc3c-4cccc3c2=O)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 12/20 0.64
▸ PARP1 P09874 2/20 0.33
▸ CDK2 P24941 3/20 0.32
▸ CDK1 P06493 2/20 0.32
▸ CDK6 Q00534 2/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ CDK5 Q00535 1/20 0.32
▸ KCNH2 Q12809 2/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ HTR1D P28221 1/20 0.31
▸ HTR1B P28222 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ KCNJ1 P48048 1/20 0.31
▸ ADRA1D P25100 1/20 0.30
▸ ADRA1A P35348 1/20 0.30
▸ ADRA1B P35368 1/20 0.30
▸ MAP4K1 Q92918 2/20 0.30
▸ CCNE2 O96020 1/20 0.30
▸ PRKACA P17612 1/20 0.30
▸ PRKACG P22612 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
SCHEMBL13866134 0.95 CDK4 (0.68) CDK4PARP1CDK2CDK1CDK6
SCHEMBL13866146 0.95 CDK4 (0.68) CDK4PARP1CDK2CDK1CDK6
SCHEMBL13866148 0.91 CDK4 (0.62) CDK4PARP1ADRA1DADRA1AADRA1B
SCHEMBL13866126 0.79 CDK4 (1.00) CDK4PARP1CDK2CDK1CDK6
SCHEMBL13865873 0.79 CDK4 (1.00) CDK4PARP1CDK2CDK1CDK6
SCHEMBL13866145 0.76 CDK4 (0.45) CDK4
SCHEMBL13865799 0.76 CDK4 (1.00) CDK4PARP1CDK2CDK1CDK6
SCHEMBL13866133 0.71 CDK4 (0.80) CDK4PARP1CDK2CDK1CDK6
SCHEMBL13865897 0.70 CDK4 (0.75) CDK4PARP1CDK2CDK1CDK6
SCHEMBL13866143 0.69 CDK4 (0.45) 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 2 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-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 2691/4885PARP1 2039/4885CDK2 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.

Send feedback