SCHEMBL6791864

SCHEMBL6791864

NS(=O)(=O)c1ccc(CNc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.78
CDK1 P06493 18/20 0.78
CCNB1 P14635 18/20 0.78
CCNA2 P20248 17/20 0.78
CCNB2 O95067 16/20 0.78
CCNA1 P78396 16/20 0.78
CCNB3 Q8WWL7 16/20 0.78
CCNT1 O60563 2/20 0.78
CDK7 P50613 2/20 0.78
CDK9 P50750 2/20 0.78
CCNH P51946 2/20 0.78
CDK5 Q00535 2/20 0.78
ROCK2 O75116 1/20 0.78
CDK4 P11802 1/20 0.78
CCND1 P24385 1/20 0.78
CCNE1 P24864 1/20 0.78
GSK3B P49841 1/20 0.78
MNAT1 P51948 1/20 0.78
DYRK1A Q13627 1/20 0.78
CDK5R1 Q15078 1/20 0.78

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
SCHEMBL2170816 0.88 CDK2 (1.00) CDK2CDK1CCNB1CCNA2CCNB2
SCHEMBL30123470 0.88 CDK2 (1.00) CDK2CDK1CCNB1CCNA2CCNB2
SCHEMBL6791859 0.86 CDK2 (0.60) CDK2CDK1CCNB1CCNA2CCNB2
SCHEMBL6790789 0.77 CDK2 (1.00) CDK2CDK1CCNB1CCNA2CCNB2
SCHEMBL6792130 0.76 CDK2 (1.00) CDK2CDK1CCNB1CCNA2CCNB2
SCHEMBL30151206 0.76 CDK2 (1.00) CDK2CDK1CCNB1CCNA2CCNB2
SCHEMBL6796190 0.75 CDK2 (0.83) CDK2CDK1CCNB1CCNA2CCNB2
SCHEMBL6791647 0.74 CDK2 (1.00) CDK2CDK1CCNB1CCNA2CCNB2
SCHEMBL6786266 0.73 CDK2 (0.79) CDK2CDK1CCNB1CCNA2CCNB2
SCHEMBL25049790 0.73 CDK2 (0.54) CDK2CDK1CCNB1CCNA2CCNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110775-A1 Cyclin dependent kinase inhibiting purine derivatives CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2004-06-10 US claimed
EP-1353922-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES Cancer Research Technology Limited (GB) 2003-10-22 EP claimed
WO-2002059125-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2002-08-01 WO claimed
US-20040110775-A1 Cyclin dependent kinase inhibiting purine derivatives CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2004-06-10 US disclosed
EP-1353922-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES Cancer Research Technology Limited (GB) 2003-10-22 EP disclosed
WO-2002059125-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2002-08-01 WO 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-20040110775-A1 Cyclin dependent kinase inhibiting purine derivatives CCNA1, CDKL1, CCNK CDK2 13/4885CDK1 4/4885CCNB1 20/4885

“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.