SCHEMBL6513555

SCHEMBL6513555

COC(=O)c1ccc2[nH]c(-c3nc(NC(=O)OC(C)(C)C)cn3C)nc2c1OC

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.36
PKN1 Q16512 1/20 0.35
PKN2 Q16513 1/20 0.35
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
LEF1 Q9UJU2 1/20 0.32
PARP1 P09874 3/20 0.32
SCN9A Q15858 1/20 0.31
LCK P06239 1/20 0.31
HPSE Q9Y251 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
SCHEMBL6517653 0.93 GSK3B (0.33) ATRGSK3BDYRK1APARP1SCN9A
SCHEMBL6513547 0.86 ATR (0.36) ATRGSK3BDYRK1ASCN9ALCK
SCHEMBL6517644 0.80 GSK3B (0.33) ATRGSK3BDYRK1ASCN9ALCK
SCHEMBL6511063 0.79 RHEB (0.41) GSK3BDYRK1ALEF1LCK
SCHEMBL15233333 0.77 BRD4 (0.48) ATRPKN1PKN2LCK
SCHEMBL6523273 0.77 PKN1 (0.38) PKN1PKN2PARP1
SCHEMBL5555380 0.75 PKN1 (0.43) PKN1PKN2PARP1HPSE
SCHEMBL5561415 0.74 LCK (0.39) GSK3BDYRK1ASCN9ALCK
SCHEMBL14879051 0.72 LCK (0.48) LCK
SCHEMBL15233053 0.72 GSK3B (0.35) GSK3BDYRK1ASCN9ALCK

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 3 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
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 1576/4885PKN1 2736/4885PKN2 2911/4885

“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.