SCHEMBL429777

SCHEMBL429777

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 0.35
CCNE2 O96020 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC8 Q9BY41 1/20 0.34
STK17B O94768 1/20 0.34
STK17A Q9UEE5 1/20 0.34
TLR9 Q9NR96 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
HPRT1 P00492 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
SCHEMBL431141 0.92 CCNE2 (0.36) BRD4CCNE2CCNE1CDK2HDAC1
SCHEMBL432254 0.86 CCNE2 (0.40) BRD4CCNE2CCNE1CDK2HDAC1
SCHEMBL431814 0.86 CCNE1 (0.40) BRD4CCNE2CCNE1CDK2HPRT1
SCHEMBL458765 0.85 HPRT1 (0.34) BRD4CCNE2CCNE1CDK2STK17B
SCHEMBL431129 0.80 CCNE2 (0.40) BRD4CCNE2CCNE1CDK2HDAC1
SCHEMBL10077229 0.79 TLR7 (0.37) CCNE2CCNE1CDK2HDAC1
SCHEMBL433012 0.79 HPRT1 (0.41) BRD4CCNE2CCNE1CDK2HPRT1
SCHEMBL23453045 0.79 PDE4A (0.38) BRD4HDAC1HDAC2STK17BSTK17A
SCHEMBL430142 0.78 CDK2 (0.36) BRD4CCNE2CCNE1CDK2HDAC1
SCHEMBL434581 0.77 CKS1B (0.33) BRD4CCNE2CCNE1CDK2STK17B

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 BRD4 1608/4885CCNE2 3214/4885CCNE1 3336/4885

“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.