SCHEMBL5561008

SCHEMBL5561008

Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1cn(C)c(-c2nc3cc(C(=O)O)ccc3[nH]2)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LCK P06239 4/20 0.36
CHEK2 O96017 3/20 0.34
BRD4 O60885 1/20 0.33
LEF1 Q9UJU2 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
ACHE P22303 1/20 0.32
HRAS P01112 2/20 0.32
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
CYP17A1 P05093 1/20 0.32
NAMPT P43490 1/20 0.32
TOP2A P11388 1/20 0.32
STING1 Q86WV6 1/20 0.31
AURKA O14965 1/20 0.31
AURKB Q96GD4 1/20 0.31
P2RY14 Q15391 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
SCHEMBL14879050 0.93 LCK (0.43) LCKCHEK2MAPTMAPK1ESR2
SCHEMBL6509939 0.93 LEF1 (0.37) LCKBRD4LEF1MAPTACHE
SCHEMBL5561415 0.90 LCK (0.39) LCKCHEK2BRD4ESR2TOP2A
SCHEMBL15233047 0.86 LCK (0.43) LCKBRD4MAPTMAPK1
SCHEMBL5560010 0.84 MAPT (0.39) LCKCHEK2BRD4LEF1MAPT
SCHEMBL14879051 0.82 LCK (0.48) LCKCHEK2MAPTMAPK1ESR2
SCHEMBL6511063 0.82 RHEB (0.41) LCKBRD4LEF1
SCHEMBL19739259 0.77 SMN1; SMN2 (0.41) MAPT
SCHEMBL14879048 0.77 LCK (0.46) LCKCHEK2MAPTMAPK1ESR2
SCHEMBL5561204 0.76 RHEB (0.41) LCKBRD4LEF1MAPTMAPK1

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
EP-1599474-B1 Heterocyclic oligomeric compounds for DNA recognition CALIFORNIA INST OF TECHN (US) 2013-04-24 EP disclosed
EP-1599474-A4 ALTERNATIVE HETEROCYCLES FOR DNA RECOGNITION CALIFORNIA INST OF TECHN (US) 2007-08-22 EP disclosed
EP-1599474-A2 ALTERNATIVE HETEROCYCLES FOR DNA RECOGNITION CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2005-11-30 EP disclosed
US-20050026174-A1 Alternative heterocycles for DNA recognition CALIFORNIA INSTITUTE OF TECHNOLOGY 2005-02-03 US disclosed
WO-2004078943-A2 ALTERNATIVE HETEROCYCLES FOR DNA RECOGNITION CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2004-09-16 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 (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 LCK 3761/4885CHEK2 327/4885BRD4 728/4885

“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.