SCHEMBL431129

SCHEMBL431129

CC(C)(C)OC(=O)NCCN(CC(=O)O)C(=O)Cn1cnc2c(NCCCNC(=O)OCc3ccccc3)nc(N)nc21

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
BRD4 O60885 6/20 0.39
MAPT P10636 1/20 0.38
MCL1 Q07820 1/20 0.37
HDAC1 Q13547 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC8 Q9BY41 1/20 0.36
DOT1L Q8TEK3 2/20 0.36
STK17B O94768 1/20 0.36
STK17A Q9UEE5 1/20 0.36

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
SCHEMBL432254 0.94 CCNE2 (0.40) CCNE2CCNE1CDK2BRD4MAPT
SCHEMBL10077167 0.92 CCNE2 (0.39) CCNE2CCNE1CDK2BRD4MAPT
SCHEMBL430210 0.92 CCNE2 (0.38) CCNE2CCNE1CDK2MAPTMCL1
SCHEMBL434638 0.90 TLR7 (0.36) CCNE2CCNE1CDK2MAPTMCL1
SCHEMBL431141 0.86 CCNE2 (0.36) CCNE2CCNE1CDK2BRD4MCL1
SCHEMBL459081 0.86 MAPT (0.37) CCNE2CCNE1CDK2BRD4MAPT
SCHEMBL2684979 0.86 MGMT (0.40) CCNE2CCNE1CDK2MCL1HDAC1
SCHEMBL13037056 0.85 CCNE2 (0.37) CCNE2CCNE1CDK2MAPTMCL1
SCHEMBL13074311 0.84 TLR7 (0.37) CCNE2CCNE1CDK2MAPTMCL1
SCHEMBL10077229 0.84 TLR7 (0.37) CCNE2CCNE1CDK2MAPTMCL1

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 6 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

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 CCNE2 3214/4885CCNE1 3336/4885CDK2 3802/4885

“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.