SCHEMBL5083036

SCHEMBL5083036

CCC(CO)(OC(c1ccccc1)(c1ccccc1)c1cccc(OC)c1)n1cnc2c(NOC)nc(C(c3ccccc3)(c3ccccc3)c3ccccc3)nc21

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 5/20 0.34
YTHDC1 Q96MU7 1/20 0.33
ADORA3 P0DMS8 4/20 0.32
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
PPARD Q03181 1/20 0.30
CCNE2 O96020 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30

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
SCHEMBL5083033 0.75 KDM4E (0.33) CDK1ADORA2AADORA1
SCHEMBL5080055 0.70 CDK1 (0.35) CDK1YTHDC1CCNE2CCNE1CDK2
SCHEMBL5083699 0.69 CDK1 (0.41) CDK1CCNE2CCNE1CDK2
SCHEMBL5083038 0.68 CDK1 (0.41) CDK1CCNE2CCNE1CDK2
SCHEMBL16105077 0.66 CDK1 (0.35) CDK1CCNE2CCNE1CDK2
SCHEMBL2557634 0.66 CDK1 (0.35) CDK1CCNE2CCNE1CDK2
SCHEMBL5080066 0.66 CDK1 (0.37) CDK1CCNE2CCNE1CDK2
SCHEMBL2556488 0.65 PDE4A (0.38) CDK1YTHDC1ADORA3ADORA2AADORA1
SCHEMBL2556773 0.63 PDE4A (0.37) CDK1ADORA3ADORA2AADORA1CCNE2
SCHEMBL14659054 0.63 P2RY1 (0.31) YTHDC1

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 704/4885YTHDC1 147/4885ADORA3 170/4885

“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.