SCHEMBL612224

SCHEMBL612224

CCOC(=O)Cn1cnc2c(N)nc(NCCCCNC(=O)OC(C)(C)C)nc21

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.44
ADORA1 P30542 4/20 0.44
TMIGD3 P0DMS9 3/20 0.44
ADORA2B P29275 3/20 0.42
BRD4 O60885 4/20 0.42
CDK1 P06493 2/20 0.41
CDK2 P24941 1/20 0.41
DOT1L Q8TEK3 1/20 0.41

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
SCHEMBL611076 0.99 ADORA2A (0.43) ADORA2AADORA1TMIGD3ADORA2BBRD4
SCHEMBL611764 0.98 ADORA2A (0.44) ADORA2AADORA1TMIGD3ADORA2BBRD4
SCHEMBL611356 0.95 CDK1 (0.43) ADORA2AADORA1TMIGD3ADORA2BBRD4
SCHEMBL10047089 0.90 ADORA2A (0.40) ADORA2AADORA1TMIGD3ADORA2BCDK1
SCHEMBL10047144 0.87 ADORA2A (0.52) ADORA2AADORA1TMIGD3ADORA2BCDK1
SCHEMBL10047141 0.86 ADORA2A (0.51) ADORA2AADORA1TMIGD3ADORA2BCDK1
SCHEMBL612315 0.85 BRD4 (0.39) ADORA2AADORA1BRD4
SCHEMBL10072757 0.85 ADORA2A (0.48) ADORA2AADORA1TMIGD3ADORA2BCDK1
SCHEMBL10047134 0.84 ADORA2A (0.51) ADORA2AADORA1TMIGD3ADORA2BCDK1
SCHEMBL16206264 0.81 HDAC1 (0.48) BRD4CDK2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268607-B9 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID CTI BIO (KR) 2015-05-13 EP disclosed
EP-2268607-B9 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID CTI BIO (KR) 2015-05-13 EP disclosed
EP-2268607-B1 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID CTI BIO (KR) 2015-02-18 EP disclosed
EP-2268607-B1 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID CTI BIO (KR) 2015-02-18 EP disclosed
US-8895734-B2 Peptide nucleic acid derivatives with good cell penetration and strong affinity for nucleic acid OLIPASS CORPORATION (KR) 2014-11-25 US disclosed
US-8895734-B2 Peptide nucleic acid derivatives with good cell penetration and strong affinity for nucleic acid OLIPASS CORPORATION (KR) 2014-11-25 US disclosed
US-8884008-B2 Peptide nucleic acid derivatives with good cell penetration and strong affinity for nucleic acid OLIPASS CORPORATION (KR) 2014-11-11 US disclosed
US-8884008-B2 Peptide nucleic acid derivatives with good cell penetration and strong affinity for nucleic acid OLIPASS CORPORATION (KR) 2014-11-11 US disclosed
US-20140323728-A1 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID CTI BIO (KR) 2014-10-30 US disclosed
US-20140323728-A1 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID CTI BIO (KR) 2014-10-30 US disclosed
US-20140155605-A1 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID CTI BIO (KR) 2014-06-05 US disclosed
US-8680253-B2 Peptide nucleic acid derivatives with good cell penetration and strong affinity for nucleic acid OLIPASS CORPORATION (KR) 2014-03-25 US disclosed
US-8680253-B2 Peptide nucleic acid derivatives with good cell penetration and strong affinity for nucleic acid OLIPASS CORPORATION (KR) 2014-03-25 US disclosed
US-20120040918-A9 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID CTI BIO (KR) 2012-02-16 US disclosed
US-20120040918-A9 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID CTI BIO (KR) 2012-02-16 US disclosed
US-20110178031-A1 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID CTI BIO (KR) 2011-07-21 US disclosed
US-20110178031-A1 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID CTI BIO (KR) 2011-07-21 US disclosed
EP-2268607-A2 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID Cti Bio (KR) 2011-01-05 EP disclosed
WO-2009113828-A9 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID CTI BIO (KR) 2009-11-05 WO disclosed
WO-2009113828-A2 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID CTI BIO (KR) 2009-09-17 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 (4 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-20140323728-A1 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID SLC7A1, SLC29A1, SLC43A3 ADORA2A 1651/4885ADORA1 1032/4885TMIGD3 910/4885
US-20140155605-A1 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID SLC7A1, SLC29A1, SLC43A3 ADORA2A 1651/4885ADORA1 1032/4885TMIGD3 910/4885
US-20120040918-A9 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID SLC7A1, SLC29A1, SLC43A3 ADORA2A 1651/4885ADORA1 1032/4885TMIGD3 910/4885
US-20110178031-A1 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID SLC7A1, SLC29A1, SLC43A3 ADORA2A 1651/4885ADORA1 1032/4885TMIGD3 910/4885

“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.