SCHEMBL2139019

SCHEMBL2139019

CC(=O)c1ccc2sc(NC(=O)c3csc(C4CCN(c5ncnc6ccsc56)CC4)n3)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
KIT P10721 1/20 0.38
HTR2C P28335 1/20 0.36
SCN9A Q15858 4/20 0.36
ADRB2 P07550 2/20 0.35
ADRB1 P08588 2/20 0.35
ADRB3 P13945 2/20 0.35
GSK3B P49841 3/20 0.35
DYRK1A Q13627 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MAPK1 P28482 1/20 0.34
LMNA P02545 1/20 0.33
PDE4D Q08499 1/20 0.33
HTR1A P08908 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
SCHEMBL2140271 0.88 NFKB1 (0.58) NFKB1NFKB2RELAKITADRB2
SCHEMBL2135587 0.88 NFKB1 (0.61) NFKB1NFKB2RELAADRB2ADRB1
SCHEMBL2134914 0.87 NFKB1 (0.57) NFKB1NFKB2RELAKITSCN9A
SCHEMBL14050744 0.85 NFKB1 (0.43) NFKB1NFKB2RELASCN9AGSK3B
SCHEMBL5079264 0.77 NFKB1 (0.61) NFKB1NFKB2RELAKITHTR2C
SCHEMBL460244 0.76 NFKB1 (0.58) NFKB1NFKB2RELAKITHTR2C
SCHEMBL2136321 0.76 NFKB1 (0.89) NFKB1NFKB2RELAKITHTR2C
SCHEMBL13908867 0.75 NFKB1 (0.81) NFKB1NFKB2RELAKITHTR2C
SCHEMBL2139370 0.74 NFKB1 (1.00) NFKB1NFKB2RELAKITHTR2C
SCHEMBL30316128 0.74 NFKB1 (1.00) NFKB1NFKB2RELAKITHTR2C

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110052532-A1 Pharmaceutical composition comprising a cytokine STROBL STEFAN 2011-03-03 US disclosed
US-20110052532-A1 Pharmaceutical composition comprising a cytokine STROBL STEFAN 2011-03-03 US disclosed
US-20110052532-A1 Pharmaceutical composition comprising a cytokine STROBL STEFAN 2011-03-03 US disclosed
EP-1977759-A1 Pharmaceutical composition comprising a cytokine 4SC AG (DE) 2008-10-08 EP disclosed
EP-1977759-A1 Pharmaceutical composition comprising a cytokine 4SC AG (DE) 2008-10-08 EP disclosed
US-20080241100-A1 PHARMACEUTICAL COMPOSITION COMPRISING A CYTOKINE 4SC AG (DE) 2008-10-02 US disclosed
US-20080241100-A1 PHARMACEUTICAL COMPOSITION COMPRISING A CYTOKINE 4SC AG (DE) 2008-10-02 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 (2 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-20110052532-A1 Pharmaceutical composition comprising a cytokine IL2, IL17A, IFNG NFKB1 348/4885NFKB2 161/4885RELA 616/4885
US-20080241100-A1 PHARMACEUTICAL COMPOSITION COMPRISING A CYTOKINE IL2, IL17A, IFNG NFKB1 348/4885NFKB2 161/4885RELA 616/4885

“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.