SCHEMBL5086138

SCHEMBL5086138

CCC(COCP(=O)(O)O)n1cnc2c(NOC)nc(C(c3ccccc3)(c3ccccc3)c3ccccc3)nc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.44
CDK2 P24941 14/20 0.36
CCNE1 P24864 12/20 0.36
CDK1 P06493 15/20 0.36
CDK7 P50613 13/20 0.36
CCNB1 P14635 11/20 0.36
CCNH P51946 10/20 0.36
CDK4 P11802 9/20 0.36
CCND1 P24385 9/20 0.36
MAPK1 P28482 5/20 0.36
CDK5 Q00535 6/20 0.35
CDK9 P50750 4/20 0.35
CSNK1D P48730 2/20 0.35
CLK2 P49760 2/20 0.35
CSNK1G2 P78368 2/20 0.35
DYRK1A Q13627 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
CSNK1G1 Q9HCP0 2/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 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
SCHEMBL5082999 0.89 HPRT1 (0.40) HPRT1CDK2CCNE1CDK1CCNB1
SCHEMBL5082380 0.87 HPRT1 (0.38) HPRT1CDK2CCNE1CDK1CCNB1
SCHEMBL5086113 0.85 HPRT1 (0.35) HPRT1CDK2CCNE1CDK1CCNB1
SCHEMBL5083699 0.85 CDK1 (0.41) CDK2CCNE1CDK1CDK7CCNB1
SCHEMBL5080084 0.83 HPRT1 (0.35) HPRT1CDK2CCNE1CDK1CCNB1
SCHEMBL5083570 0.81 CDK1 (0.34) CDK2CCNE1CDK1CDK7CCNB1
SCHEMBL5085976 0.80 HPRT1 (0.32) HPRT1CDK2CCNE1CDK1CCNB1
SCHEMBL5083541 0.79 NT5E (0.33)
SCHEMBL5082395 0.78 CDK1 (0.35) CDK2CCNE1CDK1CDK7CCNB1
SCHEMBL5082981 0.77 CCNE2 (0.34) HPRT1CDK2CCNE1CDK1CCNB1

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 HPRT1 319/4885CDK2 339/4885CCNE1 440/4885

“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.