SCHEMBL13655154

SCHEMBL13655154

Bc1cnc(Nc2cccc(S(=O)(=O)NCCC(C)C)c2)nc1N[C@H](C)CO

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 6/20 0.47
KDR P35968 5/20 0.47
CDK2 P24941 6/20 0.46
CDK7 P50613 4/20 0.46
CDK9 P50750 4/20 0.46
CA2 P00918 3/20 0.46
CCNT1 O60563 3/20 0.46
CCNH P51946 3/20 0.46
CDK4 P11802 2/20 0.46
CCND1 P24385 1/20 0.46
CCNB1 P14635 4/20 0.46
CCNE1 P24864 2/20 0.46
BRD4 O60885 9/20 0.41
JAK1 P23458 2/20 0.41
HDAC1 Q13547 2/20 0.41
JAK2 O60674 2/20 0.40
CCNA2 P20248 2/20 0.39
RIPK2 O43353 1/20 0.39

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
SCHEMBL4069769 0.89 CDK1 (0.61) CDK1KDRCDK2CDK7CDK9
SCHEMBL13648789 0.81 CDK1 (0.57) CDK1KDRCDK2CDK7CDK9
SCHEMBL4060268 0.80 CDK1 (0.49) CDK1KDRCDK2CDK7CDK9
SCHEMBL4060129 0.80 CDK1 (0.59) CDK1KDRCDK2CDK7CDK9
SCHEMBL4061542 0.80 CDK1 (0.59) CDK1KDRCDK2CDK7CDK9
SCHEMBL4064886 0.79 CDK1 (0.58) CDK1KDRCDK2CDK7CDK9
SCHEMBL13648812 0.78 CDK1 (0.58) CDK1KDRCDK2CDK7CDK9
SCHEMBL13648805 0.78 CDK1 (0.58) CDK1KDRCDK2CDK7CDK9
SCHEMBL13648800 0.78 CDK1 (0.58) CDK1KDRCDK2CDK7CDK9
SCHEMBL4060430 0.78 CDK1 (0.58) CDK1KDRCDK2CDK7CDK9

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-7598260-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-06 US disclosed
US-20080039447-A1 CDK-Inhibitory pyrimidines, their production and use as pharmaceutical agents BRUMBY THOMAS 2008-02-14 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-20080039447-A1 CDK-Inhibitory pyrimidines, their production and use as pharmaceutical agents CDK2, CDK1, CDK6 CDK1 2/4885KDR 1504/4885CDK2 1/4885

“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.