SCHEMBL6791789

SCHEMBL6791789

O=S(=O)(Nc1nccs1)c1ccc(Nc2nc(OCOC3CCCCC3)c3nc[nH]c3n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.54
CCNA2 P20248 5/20 0.54
CCNA1 P78396 4/20 0.54
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SYK P43405 1/20 0.46
CDK1 P06493 4/20 0.43
CCNB1 P14635 4/20 0.43
CCNB2 O95067 3/20 0.43
CCNB3 Q8WWL7 3/20 0.43
CCNT1 O60563 7/20 0.42
CDK9 P50750 7/20 0.42
PIK3R1 P27986 1/20 0.42
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
EGFR P00533 1/20 0.42

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
SCHEMBL6786586 0.89 CDK2 (0.69) CDK2CCNA2CCNA1TSHRMAPK1
SCHEMBL6791914 0.84 CDK2 (0.52) CDK2CCNA2CCNA1SYKCDK1
SCHEMBL6798010 0.81 CDK2 (0.45) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL6787539 0.78 CDK2 (0.56) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL6791834 0.74 CDK2 (0.60) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL6790786 0.73 CDK2 (0.75) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL6790183 0.73 CDK2 (0.57) CDK2CCNA2CCNA1MAPK1CDK1
SCHEMBL6791120 0.73 CDK2 (0.61) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL6786530 0.72 CDK2 (0.67) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL6796187 0.72 CDK2 (0.63) CDK2CCNA2CCNA1CDK1CCNB1

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 13/4885CCNA2 15/4885CCNA1 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.