SCHEMBL433012

SCHEMBL433012

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 4/20 0.41
DOT1L Q8TEK3 1/20 0.33
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33
RXFP1 Q9HBX9 3/20 0.33
CCNE2 O96020 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
CSNK1D P48730 1/20 0.32
BRD4 O60885 2/20 0.32
POLB P06746 1/20 0.31
PARP1 P09874 1/20 0.31

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
SCHEMBL432421 0.91 CKS1B (0.36) HPRT1DOT1LCKS1BSKP1SKP2
SCHEMBL13074135 0.87 CKS1B (0.34) HPRT1DOT1LCKS1BSKP1SKP2
SCHEMBL431814 0.86 CCNE1 (0.40) HPRT1DOT1LCKS1BSKP1SKP2
SCHEMBL458765 0.84 HPRT1 (0.34) HPRT1CKS1BSKP1SKP2CCNE2
SCHEMBL10077228 0.83 SYK (0.36) HPRT1CKS1BSKP1SKP2RXFP1
SCHEMBL460716 0.81 MAPT (0.36) CKS1BSKP1SKP2CCNE2CCNE1
SCHEMBL3669146 0.81 RXFP1 (0.34) CKS1BSKP1SKP2RXFP1CCNE2
SCHEMBL13037053 0.80 CKS1B (0.35) HPRT1DOT1LCKS1BSKP1SKP2
SCHEMBL10078205 0.79 HPRT1 (0.49) HPRT1
SCHEMBL429777 0.79 BRD4 (0.35) HPRT1CCNE2CCNE1CDK2BRD4

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 9 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
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
US-20100284959-A1 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF GENE ARREST LTD. (IL) 2010-11-11 US disclosed
US-20100284959-A1 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF GENE ARREST LTD. (IL) 2010-11-11 US disclosed
US-20100284959-A1 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF GENE ARREST LTD. (IL) 2010-11-11 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 (2 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-20100284959-A1 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF POLRMT, POLM, SNRPE HPRT1 1073/4885DOT1L 3131/4885CKS1B 1376/4885
US-20130231480-A1 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF POLM, POLRMT, DDB1 HPRT1 929/4885DOT1L 3036/4885CKS1B 1491/4885

“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.