SCHEMBL4428837

SCHEMBL4428837

CC1(C)OC[C@H](COc2nc(N)nc3nc[nH]c23)O1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 17/20 0.57
CCNB1 P14635 17/20 0.57
CCNA2 P20248 16/20 0.57
CDK2 P24941 16/20 0.57
CCNA1 P78396 16/20 0.57
PIN1 Q13526 3/20 0.56
CCNB2 O95067 1/20 0.56
MAPK3 P27361 1/20 0.56
CLK1 P49759 1/20 0.56
CDK5 Q00535 1/20 0.56
CCNB3 Q8WWL7 1/20 0.56
MAP3K5 Q99683 1/20 0.56
MGMT P16455 6/20 0.52

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
SCHEMBL7981045 1.00 CDK1 (0.57) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL8075242 1.00 CDK1 (0.57) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL8072893 0.90 CDK1 (0.48) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL8076767 0.77 CDK1 (0.50) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL8069356 0.76 CDK1 (0.69) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL6263155 0.75 CA2 (0.37) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL6266042 0.73 CDK2 (1.00) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL10471471 0.72 CCNK (0.38) CDK2
SCHEMBL3462331 0.72 CDK2 (1.00) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL8618498 0.72 CDK1 (0.77) CDK1CCNB1CCNA2CDK2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1746889-B1 PLANT GROWTH REGULATION BAYER CROPSCIENCE AG (DE) 2009-07-22 EP disclosed
US-20080039321-A1 Plant Growth Regulation BAYER CROPSCIENCE AG (DE) 2008-02-14 US disclosed
US-6303618-B1 ADMINISTERING PURINE COMPOUND WHICH INHIBITS CYCLIC DEPENDENT KINASE ACTIVITY FOR THERAPY OF TUMOR OR OTHER CELL PROLIFERATION DISORDER CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2001-10-16 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-20080039321-A1 Plant Growth Regulation OSR1, PPP6R3, PPP6R1 CDK1 1909/4885CCNB1 811/4885CCNA2 831/4885

“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.