SCHEMBL456162

SCHEMBL456162

CCOC(=O)Cn1c(C(=O)C(C)C)nc2c(=O)[nH]c(N)nc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.44
PNP P00491 6/20 0.42
HPRT1 P00492 4/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
HBB P68871 1/20 0.38
GAA P10253 1/20 0.36
PDE3A Q14432 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL6046932 0.86 PNP (0.42) MAPK1PNPHPRT1KMT2AMEN1
SCHEMBL453174 0.85 PNP (0.49) MAPK1PNPHPRT1KMT2AMEN1
SCHEMBL23211203 0.74 ALDH1A1 (0.50) MAPK1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL2858495 0.69 PNP (0.53) MAPK1PNPHPRT1KMT2AMEN1
SCHEMBL7192998 0.68 PNP (0.42) MAPK1PNPHPRT1KMT2AMEN1
SCHEMBL6046944 0.68 KDM4E (0.33) MAPK1PNPALDH1A1KDM4E
SCHEMBL23920980 0.67 PNP (0.43) MAPK1PNPHPRT1KMT2AMEN1
SCHEMBL2861664 0.66 PNP (0.52) MAPK1PNPHPRT1KMT2AMEN1
SCHEMBL5256051 0.66 HPRT1 (0.65) PNPHPRT1KMT2AMEN1ALDH1A1
SCHEMBL4813936 0.65 PNP (0.70) PNPKMT2AMEN1ALDH1A1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065364-A2 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-03-15 US disclosed
US-20110245458-A1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS NANYANG TECHONOLOGICAL UNIVERSITY (SG) 2011-10-06 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-20120065364-A2 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS SIN3A, POLR2H, CYTH3 MAPK1 3990/4885PNP 4582/4885HPRT1 3808/4885
US-20110245458-A1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS SIN3A, POLR2H, CYTH3 MAPK1 3990/4885PNP 4582/4885HPRT1 3808/4885

“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.