SCHEMBL6511063

SCHEMBL6511063

COC(=O)c1ccc2[nH]c(-c3nc(NC(=O)OC(C)(C)C)cn3C)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.41
KDM4E B2RXH2 4/20 0.40
RAB9A P51151 4/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 3/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
LCK P06239 2/20 0.39
BRD4 O60885 3/20 0.39
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL15233333 0.92 BRD4 (0.48) RHEBKDM4ERAB9AALDH1A1NPC1
SCHEMBL5561415 0.91 LCK (0.39) KDM4ERAB9AALDH1A1NPC1HPGD
SCHEMBL6509939 0.90 LEF1 (0.37) RHEBKDM4ERAB9AALDH1A1NPC1
SCHEMBL5561204 0.85 RHEB (0.41) RHEBKDM4ERAB9AALDH1A1NPC1
SCHEMBL14879051 0.83 LCK (0.48) RAB9ANPC1LMNASMN1; SMN2LCK
SCHEMBL15233047 0.83 LCK (0.43) RHEBKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL5561008 0.82 LCK (0.36) LCKBRD4LEF1
SCHEMBL6513555 0.79 ATR (0.36) LCKLEF1GSK3BDYRK1A
SCHEMBL19739152 0.79 SMN1; SMN2 (0.55) RHEBKDM4ERAB9AALDH1A1NPC1
SCHEMBL6513547 0.78 ATR (0.36) LCKGSK3BDYRK1A

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 RHEB 2514/4885KDM4E 4331/4885RAB9A 4515/4885

“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.