SCHEMBL6517644

SCHEMBL6517644

COc1c(C(=O)O)ccc2nc(-c3nc(NC(=O)OC(C)(C)C)cn3C)[nH]c12

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
LCK P06239 3/20 0.33
SCN9A Q15858 1/20 0.33
ATR Q13535 1/20 0.32
P2RX7 Q99572 1/20 0.31
ACSS2 Q9NR19 1/20 0.30

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
SCHEMBL6513547 0.94 ATR (0.36) GSK3BDYRK1ALCKSCN9AATR
SCHEMBL15233053 0.90 GSK3B (0.35) GSK3BDYRK1ALCKSCN9AP2RX7
SCHEMBL6517653 0.85 GSK3B (0.33) GSK3BDYRK1ALCKSCN9AATR
SCHEMBL6515389 0.84 ACSS2 (0.35) GSK3BDYRK1ALCKATRACSS2
SCHEMBL5553953 0.81 LCK (0.34) LCKSCN9AATR
SCHEMBL6513555 0.80 ATR (0.36) GSK3BDYRK1ALCKSCN9AATR
SCHEMBL14879051 0.78 LCK (0.48) LCK
SCHEMBL6513671 0.78 ATR (0.36) GSK3BDYRK1ALCKATRACSS2
SCHEMBL15233333 0.77 BRD4 (0.48) LCKATR
SCHEMBL5561415 0.76 LCK (0.39) GSK3BDYRK1ALCKSCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524899-B2 Oligopeptide containing fused 6-membered ring forming complexes with double stranded dna; complexes can be used for identification of specific dsDNA sequences, inhibiting gene transcription, therapeutic for inhibiting proliferation of undesired cells or modulation of expression of specific gene CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2013-09-03 US disclosed
US-8524899-B2 Oligopeptide containing fused 6-membered ring forming complexes with double stranded dna; complexes can be used for identification of specific dsDNA sequences, inhibiting gene transcription, therapeutic for inhibiting proliferation of undesired cells or modulation of expression of specific gene CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2013-09-03 US disclosed
US-8524899-B2 Oligopeptide containing fused 6-membered ring forming complexes with double stranded dna; complexes can be used for identification of specific dsDNA sequences, inhibiting gene transcription, therapeutic for inhibiting proliferation of undesired cells or modulation of expression of specific gene CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2013-09-03 US disclosed
EP-1599474-B1 Heterocyclic oligomeric compounds for DNA recognition CALIFORNIA INST OF TECHN (US) 2013-04-24 EP disclosed
EP-1599474-B1 Heterocyclic oligomeric compounds for DNA recognition CALIFORNIA INST OF TECHN (US) 2013-04-24 EP disclosed
US-20050026174-A1 Alternative heterocycles for DNA recognition CALIFORNIA INSTITUTE OF TECHNOLOGY 2005-02-03 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 (1 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-20050026174-A1 Alternative heterocycles for DNA recognition DDB1, PCNA, DNA2 GSK3B 3543/4885DYRK1A 3598/4885LCK 3761/4885

“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.