SCHEMBL5082996

SCHEMBL5082996

CONc1nc(C(c2ccccc2)(c2ccccc2)c2ccccc2)nc2c1ncn2C(CCO)C(OC)OC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 15/20 0.35
CDK5 Q00535 5/20 0.35
CDK2 P24941 5/20 0.35
CSNK1D P48730 1/20 0.35
CLK2 P49760 1/20 0.35
DYRK1A Q13627 1/20 0.35
HIPK4 Q8NE63 1/20 0.35
SRPK1 Q96SB4 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
CCNB1 P14635 9/20 0.35
TDP1 Q9NUW8 2/20 0.34
CCNB2 O95067 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
CCNE2 O96020 3/20 0.33
CCNE1 P24864 3/20 0.33
ADORA3 P0DMS8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL5085999 0.87 CDK1 (0.33) CDK1CDK5CDK2CSNK1DCLK2
SCHEMBL5085976 0.87 HPRT1 (0.32) CDK1CDK5CDK2CCNB1CCNB2
SCHEMBL5083038 0.84 CDK1 (0.41) CDK1CDK5CDK2CSNK1DCLK2
SCHEMBL5080082 0.83 CCNB2 (0.31) CDK1CDK5CDK2CCNB1CCNB2
SCHEMBL5080066 0.83 CDK1 (0.37) CDK1CDK5CDK2CSNK1DCLK2
SCHEMBL5080106 0.80
SCHEMBL5083699 0.78 CDK1 (0.41) CDK1CDK5CDK2CSNK1DCLK2
SCHEMBL5086113 0.72 HPRT1 (0.35) CDK1CDK5CDK2CCNB1TDP1
SCHEMBL5082371 0.72 CDK1 (0.33) CDK1
SCHEMBL5083616 0.72 CDK1 (0.34) CDK1CDK5CDK2DYRK1ACCNB1

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.