SCHEMBL6509939

SCHEMBL6509939

COC(=O)c1ccc2[nH]c(-c3nc(NC(=O)c4cc(NC(=O)OC(C)(C)C)cn4C)cn3C)nc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LEF1 Q9UJU2 1/20 0.37
LCK P06239 2/20 0.36
RHEB Q15382 1/20 0.35
ATM Q13315 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BRD4 O60885 2/20 0.34
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33

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
SCHEMBL15233047 0.94 LCK (0.43) LCKRHEBATMKDM4EALDH1A1
SCHEMBL5561008 0.93 LCK (0.36) LEF1LCKBRD4MAPTACHE
SCHEMBL6511063 0.90 RHEB (0.41) LEF1LCKRHEBATMNPC1
SCHEMBL14879050 0.86 LCK (0.43) LCKMAPTESR2
SCHEMBL5561204 0.84 RHEB (0.41) LEF1LCKRHEBATMNPC1
SCHEMBL15233333 0.83 BRD4 (0.48) LCKRHEBATMNPC1RAB9A
SCHEMBL5561415 0.82 LCK (0.39) LCKNPC1RAB9AKDM4EALDH1A1
SCHEMBL15233045 0.78 KDM4E (0.47) LCKRHEBATMNPC1RAB9A
SCHEMBL3417370 0.77 HDAC1 (0.39) LEF1LCKKDM4EMAPTHRAS
SCHEMBL5560010 0.77 MAPT (0.39) LEF1LCKNPC1RAB9AKDM4E

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 2 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-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 LEF1 445/4885LCK 3761/4885RHEB 2514/4885

“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.