SCHEMBL458765

SCHEMBL458765

CCOC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)Cn1cnc2c(NCCC[N+](C)(C)C)[nH]c(=O)nc21

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 2/20 0.34
BRD4 O60885 2/20 0.32
CCNE2 O96020 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
PIM1 P11309 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
STK17B O94768 1/20 0.30
STK17A Q9UEE5 1/20 0.30
CKS1B P61024 1/20 0.30
SKP1 P63208 1/20 0.30
SKP2 Q13309 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
SCHEMBL434581 0.92 CKS1B (0.33) BRD4CCNE2CCNE1CDK2STK17B
SCHEMBL460716 0.87 MAPT (0.36) BRD4CCNE2CCNE1CDK2PIM1
SCHEMBL429777 0.85 BRD4 (0.35) HPRT1BRD4CCNE2CCNE1CDK2
SCHEMBL433012 0.84 HPRT1 (0.41) HPRT1BRD4CCNE2CCNE1CDK2
SCHEMBL15235916 0.83 CKS1B (0.35) HPRT1BRD4CCNE2CCNE1CDK2
SCHEMBL10077228 0.82 SYK (0.36) HPRT1CCNE2CCNE1CDK2CKS1B
SCHEMBL459081 0.80 MAPT (0.37) BRD4CCNE2CCNE1CDK2CKS1B
SCHEMBL3669146 0.79 RXFP1 (0.34) CCNE2CCNE1CDK2CKS1BSKP1
SCHEMBL13037053 0.78 CKS1B (0.35) HPRT1CCNE2CCNE1CDK2CKS1B
SCHEMBL431814 0.77 CCNE1 (0.40) HPRT1BRD4CCNE2CCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231480-A1 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF GENEARREST LTD (IL) 2013-09-05 US disclosed
US-20130231480-A1 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF GENEARREST LTD (IL) 2013-09-05 US disclosed
EP-2596102-A2 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF GeneArrest Ltd (IL) 2013-05-29 EP disclosed
WO-2012011114-A2 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF GENEARREST LTD (IL) 2012-01-26 WO disclosed
WO-2012011114-A2 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF GENEARREST LTD (IL) 2012-01-26 WO 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-20130231480-A1 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF POLM, POLRMT, DDB1 HPRT1 929/4885BRD4 1608/4885CCNE2 3214/4885

“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.