SCHEMBL6513671

SCHEMBL6513671

COC(=O)c1ccc2nc(-c3cc(NC(=O)OC(C)(C)C)cn3C)[nH]c2c1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.36
RAB9A P51151 1/20 0.34
LEF1 Q9UJU2 1/20 0.34
ACSS2 Q9NR19 1/20 0.33
LCK P06239 3/20 0.33
MAP4K4 O95819 1/20 0.33
JAK2 O60674 1/20 0.33
EGLN2 Q96KS0 1/20 0.32
MAPT P10636 2/20 0.32
EGFR P00533 1/20 0.32
MAPK1 P28482 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
MAPK14 Q16539 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
IDH1 O75874 2/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL6515389 0.94 ACSS2 (0.35) ATRRAB9ALEF1ACSS2LCK
SCHEMBL15233336 0.84 ACSS2 (0.35) RAB9AACSS2LCKMAP4K4EGLN2
SCHEMBL6513547 0.84 ATR (0.36) ATRLCKGSK3BDYRK1A
SCHEMBL15233051 0.84 ACSS2 (0.35) RAB9AACSS2LCKMAP4K4EGLN2
SCHEMBL6511101 0.82 RAB9A (0.35) ATRRAB9ALEF1ACSS2LCK
SCHEMBL15233045 0.81 KDM4E (0.47) ATRRAB9ALCKMAPTEGFR
SCHEMBL5561204 0.79 RHEB (0.41) RAB9ALEF1LCKMAPTEGFR
SCHEMBL6517644 0.78 GSK3B (0.33) ATRACSS2LCKGSK3BDYRK1A
SCHEMBL5553939 0.78 ATR (0.39) ATRLEF1LCKMAPTBRD4
SCHEMBL6510380 0.77 ACSS2 (0.37) RAB9AACSS2LCKMAP4K4EGLN2

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 5 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
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 ATR 1576/4885RAB9A 4515/4885LEF1 445/4885

“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.