SCHEMBL430142

SCHEMBL430142

CC(=O)Nc1nc(N)nc2c1ncn2CC(=O)N(CCNC(=O)OC(C)(C)C)CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.36
CCNE2 O96020 1/20 0.36
CCNE1 P24864 1/20 0.36
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
CYP2C19 P33261 1/20 0.33
DOT1L Q8TEK3 1/20 0.32
BRD4 O60885 2/20 0.32
CSNK1D P48730 1/20 0.32
MCL1 Q07820 1/20 0.32
HDAC1 Q13547 2/20 0.31
YTHDC1 Q96MU7 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
CDK1 P06493 1/20 0.31
PRKACA P17612 1/20 0.31
CCNA2 P20248 1/20 0.31
PRKACG P22612 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
SCHEMBL10077170 0.91 CCNE2 (0.35) CDK2CCNE2CCNE1CKS1BSKP1
SCHEMBL10076893 0.89 CDK2 (0.34) CDK2CCNE2CCNE1CKS1BSKP1
SCHEMBL10077177 0.89 CCNE1 (0.40) CDK2CCNE2CCNE1CKS1BSKP1
SCHEMBL430210 0.88 CCNE2 (0.38) CDK2CCNE2CCNE1CKS1BSKP1
SCHEMBL431141 0.86 CCNE2 (0.36) CDK2CCNE2CCNE1CKS1BSKP1
SCHEMBL434638 0.85 TLR7 (0.36) CDK2CCNE2CCNE1CKS1BSKP1
SCHEMBL20635101 0.83 CCNE2 (0.35) CDK2CCNE2CCNE1CKS1BSKP1
SCHEMBL2684979 0.83 MGMT (0.40) CDK2CCNE2CCNE1CKS1BSKP1
SCHEMBL431129 0.82 CCNE2 (0.40) CDK2CCNE2CCNE1DOT1LBRD4
SCHEMBL7852849 0.82 CDK5 (0.41) CDK2CCNE2CCNE1CKS1BSKP1

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 CDK2 3500/4885CCNE2 3143/4885CCNE1 3451/4885
US-20130231480-A1 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF POLM, POLRMT, DDB1 CDK2 3802/4885CCNE2 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.