SCHEMBL2028022

SCHEMBL2028022

COC(=O)c1nc(-c2ccc(NC(=O)c3cc(NC(=O)c4cc(NC(=O)OC(C)(C)C)cn4C)cn3C)cc2)cn1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.43
CYP17A1 P05093 3/20 0.40
PSMB8 P28062 1/20 0.40
SCN3A Q9NY46 2/20 0.39
SCN9A Q15858 1/20 0.39
SCN4A P35499 1/20 0.39
SREBF2 Q12772 1/20 0.39
P2RY14 Q15391 1/20 0.38
NAMPT P43490 1/20 0.38
MAP4K4 O95819 1/20 0.38
CHRM1 P11229 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
LEF1 Q9UJU2 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
P2RY12 Q9H244 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
MAPK14 Q16539 1/20 0.36

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
SCHEMBL2030314 0.90 PSMB8 (0.47) PRKDCCYP17A1PSMB8SCN3ASCN9A
SCHEMBL21451867 0.90 SCN3A (0.42) PRKDCCYP17A1PSMB8SCN3ASCN9A
SCHEMBL3417370 0.84 HDAC1 (0.39) PRKDCCYP17A1PSMB8NAMPTLEF1
SCHEMBL2028706 0.83 CYP17A1 (0.43) PRKDCCYP17A1PSMB8P2RY14NAMPT
SCHEMBL18574370 0.83 CYP17A1 (0.43) PRKDCCYP17A1PSMB8P2RY14NAMPT
SCHEMBL16710923 0.83 CYP17A1 (0.43) PRKDCCYP17A1PSMB8P2RY14NAMPT
SCHEMBL16710866 0.83 CYP17A1 (0.42) PRKDCCYP17A1PSMB8SREBF2P2RY14
SCHEMBL18574436 0.82 RXFP1 (0.50) CYP17A1NAMPTCD274LMNATP53
SCHEMBL14072182 0.82 P2RY12 (0.35) PRKDCCYP17A1PSMB8NAMPTLEF1
SCHEMBL16710976 0.82 HDAC1 (0.39) PRKDCCYP17A1PSMB8NAMPTMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1727808-B3 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS SPIROGEN LTD (GB) 2013-01-09 EP disclosed
US-20110160192-A1 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS SPIROGEN LIMITED (GB) 2011-06-30 US disclosed
EP-1727808-B1 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS SPIROGEN LTD (GB) 2008-11-12 EP disclosed
US-20070249591-A1 Biaryl Amino Acids and Their Use in Dna Binding Oligomers SPIROGEN LIMITED (GB) 2007-10-25 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-20110160192-A1 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS PCNA, POLL, XPA PRKDC 2569/4885CYP17A1 3014/4885PSMB8 1339/4885
US-20070249591-A1 Biaryl Amino Acids and Their Use in Dna Binding Oligomers PCNA, POLL, DNA2 PRKDC 2685/4885CYP17A1 2879/4885PSMB8 1377/4885

“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.