SCHEMBL6792140

SCHEMBL6792140

OCc1cccc(Nc2nc(OCOC3CCCCC3)c3nc[nH]c3n2)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.57
CCNA2 P20248 11/20 0.57
CCNA1 P78396 11/20 0.57
CDK1 P06493 10/20 0.57
CCNB2 O95067 9/20 0.57
CCNB1 P14635 9/20 0.57
CCNB3 Q8WWL7 9/20 0.57
NEK2 P51955 4/20 0.41
SYK P43405 1/20 0.38
AURKA O14965 1/20 0.36
CDK4 P11802 1/20 0.36
EPHB4 P54760 1/20 0.35
AXL P30530 1/20 0.35
MERTK Q12866 1/20 0.35

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
SCHEMBL6793728 0.87 CDK2 (0.75) CDK2CCNA2CCNA1CDK1CCNB2
SCHEMBL6787539 0.79 CDK2 (0.56) CDK2CCNA2CCNA1CDK1CCNB2
SCHEMBL6791914 0.76 CDK2 (0.52) CDK2CCNA2CCNA1CDK1CCNB2
SCHEMBL7113916 0.73 CDK2 (0.75) CDK2CCNA2CCNA1CDK1CCNB2
SCHEMBL6798010 0.73 CDK2 (0.45) CDK2CCNA2CCNA1CDK1CCNB2
SCHEMBL4919889 0.72 CDK2 (0.43) CDK2CCNA2CCNA1CDK1CCNB2
SCHEMBL6791643 0.72 CDK2 (0.71) CDK2CCNA2CCNA1CDK1CCNB2
SCHEMBL4916505 0.71 CDK2 (0.58) CDK2CCNA2CCNA1CDK1CCNB2
SCHEMBL6791789 0.71 CDK2 (0.54) CDK2CCNA2CCNA1CDK1CCNB2
SCHEMBL12589620 0.70 CDK2 (0.76) CDK2CCNA2CCNA1CDK1CCNB2

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 1 patent. 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 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.