SCHEMBL460244

SCHEMBL460244

NC(=O)c1csc(C2CCN(c3ncnc4ccsc34)CC2)n1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
HTR2C P28335 1/20 0.48
KIT P10721 1/20 0.45
ADRB2 P07550 3/20 0.42
ADRB1 P08588 3/20 0.42
ADRB3 P13945 3/20 0.42
SIRT2 Q8IXJ6 12/20 0.41
SIRT1 Q96EB6 12/20 0.41
SIRT3 Q9NTG7 12/20 0.41
PDE4D Q08499 2/20 0.41
CYP2C9 P11712 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
SCHEMBL5079264 0.91 NFKB1 (0.61) NFKB1NFKB2RELAHTR2CKIT
SCHEMBL3072684 0.79 ENPP1 (0.55) KIT
SCHEMBL5262815 0.79 NFKB1 (0.52) NFKB1NFKB2RELAHTR2CKIT
SCHEMBL28855745 0.77 HTR2C (0.55) NFKB1NFKB2RELAHTR2CKIT
SCHEMBL2139019 0.76 NFKB1 (0.59) NFKB1NFKB2RELAHTR2CKIT
SCHEMBL13908867 0.76 NFKB1 (0.81) NFKB1NFKB2RELAHTR2CKIT
SCHEMBL16766424 0.75 NFKB1 (0.70) NFKB1NFKB2RELAHTR2CKIT
SCHEMBL2136321 0.75 NFKB1 (0.89) NFKB1NFKB2RELAHTR2CKIT
SCHEMBL2139370 0.75 NFKB1 (1.00) NFKB1NFKB2RELAHTR2CKIT
SCHEMBL31337089 0.74 HTR2C (0.65) HTR2CKITADRB2ADRB1ADRB3

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-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2012-01-26 US disclosed
US-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-10-21 US disclosed
US-20090304632-A1 HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2009-12-10 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 (3 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-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors NFKB2, NFKBIA, NFRKB NFKB1 4/4885NFKB2 1/4885RELA 6/4885
US-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS NFKB2, NFKBIA, NFRKB NFKB1 4/4885NFKB2 1/4885RELA 6/4885
US-20090304632-A1 HETEROCYCLIC NF-kB INHIBITORS NFKBIA, NFKB2, IKBKB NFKB1 5/4885NFKB2 2/4885RELA 9/4885

“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.