SCHEMBL5083699

SCHEMBL5083699

CCC(CO)n1cnc2c(NOC)nc(C(c3ccccc3)(c3ccccc3)c3ccccc3)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 18/20 0.41
CDK5 Q00535 11/20 0.41
CDK2 P24941 10/20 0.41
CCNB1 P14635 9/20 0.41
CCNE1 P24864 8/20 0.41
CDK7 P50613 7/20 0.41
CDK4 P11802 5/20 0.41
CCND1 P24385 5/20 0.41
CCNH P51946 5/20 0.41
CDK9 P50750 4/20 0.41
MAPK1 P28482 4/20 0.41
CSNK1D P48730 3/20 0.41
CLK2 P49760 3/20 0.41
DYRK1A Q13627 3/20 0.41
CLK4 Q9HAZ1 3/20 0.41
CCNK O75909 3/20 0.41
CDK12 Q9NYV4 3/20 0.41
CSNK1G2 P78368 2/20 0.41
CSNK1G1 Q9HCP0 2/20 0.41
CCNE2 O96020 2/20 0.41

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
SCHEMBL5086138 0.85 HPRT1 (0.44) CDK1CDK5CDK2CCNB1CCNE1
SCHEMBL5083038 0.84 CDK1 (0.41) CDK1CDK5CDK2CCNB1CCNE1
SCHEMBL5083570 0.84 CDK1 (0.34) CDK1CDK5CDK2CCNB1CCNE1
SCHEMBL5082395 0.81 CDK1 (0.35) CDK1CDK5CDK2CCNB1CCNE1
SCHEMBL5082996 0.78 CDK1 (0.35) CDK1CDK5CDK2CCNB1CCNE1
SCHEMBL5082999 0.78 HPRT1 (0.40) CDK1CDK5CDK2CCNB1CCNE1
SCHEMBL5082380 0.77 HPRT1 (0.38) CDK1CDK5CDK2CCNB1CCNE1
SCHEMBL5086113 0.76 HPRT1 (0.35) CDK1CDK5CDK2CCNB1CCNE1
SCHEMBL2556488 0.75 PDE4A (0.38) CDK1CDK2CCNE1CCNE2ALDH1A1
SCHEMBL14658500 0.75 PDE4A (0.38) CDK1CDK2CCNE1CCNE2ALDH1A1

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-7388002-B2 Nucleosides, preparation thereof and use as inhibitors of RNA viral polymerases BIOCRYST PHARMACEUTICALS, INC. (US) 2008-06-17 US disclosed
US-20060122391-A1 Nucleosides, preparation thereof and use as inhibitors of RNA viral polymerases BIOCRYST PHARMACEUTICALS, INC. (US) 2006-06-08 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-20060122391-A1 Nucleosides, preparation thereof and use as inhibitors of RNA viral polymerases POLR2H, NSUN2, POLR2E CDK1 704/4885CDK5 2538/4885CDK2 339/4885

“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.