SCHEMBL608240

SCHEMBL608240

O=C(O)Cn1cnc2c(NC(=O)OCc3ccccc3)nc(NCCNC(=NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)nc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.41
HDAC1 Q13547 6/20 0.40
HDAC2 Q92769 6/20 0.40
KDM4E B2RXH2 1/20 0.38
CCNB2 O95067 1/20 0.38
CCNE2 O96020 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CCNB1 P14635 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
CCNA2 P20248 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
MAPK3 P27361 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL13622524 1.00 CDK1 (0.41) CDK1HDAC1HDAC2KDM4ECCNB2
SCHEMBL608239 1.00 CDK1 (0.41) CDK1HDAC1HDAC2KDM4ECCNB2
SCHEMBL612139 0.92 HDAC1 (0.41) CDK1HDAC1HDAC2KDM4ECCNB2
SCHEMBL612138 0.92 HDAC1 (0.41) CDK1HDAC1HDAC2KDM4ECCNB2
SCHEMBL13622520 0.92 HDAC1 (0.41) CDK1HDAC1HDAC2KDM4ECCNB2
SCHEMBL611975 0.87 HDAC1 (0.45) CDK1HDAC1HDAC2HDAC8HDAC6
SCHEMBL611974 0.87 HDAC1 (0.45) CDK1HDAC1HDAC2HDAC8HDAC6
SCHEMBL7852208 0.84 HDAC1 (0.43) CDK1HDAC1HDAC2HDAC8HDAC6
SCHEMBL608241 0.82 CDK1 (0.38) CDK1HDAC1HDAC2
SCHEMBL612362 0.82 ADORA2A (0.47) HDAC1HDAC2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-8859766-B2 Peptide nucleic acid derivatives with good cell penetration and strong affinity for nucleic acid OLIPASS CORPORATION (KR) 2014-10-14 US disclosed
US-20140155604-A1 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID CTI BIO (KR) 2014-06-05 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-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
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 (5 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 CDK1 3785/4885HDAC1 4236/4885HDAC2 4426/4885
US-20140155605-A1 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID SLC7A1, SLC29A1, SLC43A3 CDK1 3785/4885HDAC1 4236/4885HDAC2 4426/4885
US-20120040918-A9 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID SLC7A1, SLC29A1, SLC43A3 CDK1 3785/4885HDAC1 4236/4885HDAC2 4426/4885
US-20110178031-A1 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID SLC7A1, SLC29A1, SLC43A3 CDK1 3785/4885HDAC1 4236/4885HDAC2 4426/4885
US-20140155604-A1 PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID SLC7A1, SLC29A1, SLC43A3 CDK1 3785/4885HDAC1 4236/4885HDAC2 4426/4885

“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.