SCHEMBL10076894

SCHEMBL10076894

CCOC(=O)Cn1cnc2c(N)[nH]c(=O)nc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 2/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
RXFP1 Q9HBX9 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 3/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 3/20 0.40
MITF O75030 1/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.39
ESR2 Q92731 1/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL13074136 0.80 CDK1 (0.54) HPRT1TSHRLMNAKMT2AHSD17B10
SCHEMBL14611764 0.80 CDK1 (0.48) HPRT1RAB9ANPC1RXFP1KDM4E
SCHEMBL431825 0.79 CDK1 (0.61) RAB9ANPC1RXFP1KDM4ETSHR
SCHEMBL8649570 0.78 HSP90AB1 (0.55)
SCHEMBL433012 0.77 HPRT1 (0.41) HPRT1RXFP1POLB
SCHEMBL3129988 0.77 CDK1 (0.45) HPRT1RAB9ANPC1RXFP1KDM4E
SCHEMBL16705266 0.76 TSHR (0.50) HPRT1RAB9ANPC1RXFP1KDM4E
SCHEMBL10047129 0.75 TSHR (0.49) HPRT1RAB9ANPC1RXFP1KDM4E
SCHEMBL16705270 0.75 CDK1 (0.46) HPRT1RAB9ANPC1RXFP1KDM4E
SCHEMBL17622533 0.74 KMT2A (0.51) RAB9ANPC1RXFP1KDM4ETSHR

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
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

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 1073/4885RAB9A 4581/4885NPC1 3085/4885
US-20130231480-A1 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF POLM, POLRMT, DDB1 HPRT1 929/4885RAB9A 4515/4885NPC1 2685/4885

“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.