SCHEMBL2139185

SCHEMBL2139185

COc1cc(N2CCC(c3nc(C(=O)Nc4nc5ccc(C(=O)c6ccccc6)cc5[nH]4)cs3)CC2)nc(OC)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.66
NFKB2 Q00653 1/20 0.66
RELA Q04206 1/20 0.66
ABL1 P00519 6/20 0.47
KDR P35968 2/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
HTT P42858 2/20 0.47
HIF1A Q16665 2/20 0.47
ABCC4 O15439 1/20 0.47
USP2 O75604 1/20 0.47
XIAP P98170 1/20 0.42
RAF1 P04049 3/20 0.41
BRAF P15056 3/20 0.41
MAPK1 P28482 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
PTGS1 P23219 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL2141311 0.92 NFKB1 (0.57) NFKB1NFKB2RELAABL1KDR
SCHEMBL27735776 0.91 NFKB1 (0.70) NFKB1NFKB2RELAABL1KDR
SCHEMBL2140541 0.84 NFKB1 (0.61) NFKB1NFKB2RELAABL1KDR
SCHEMBL27735779 0.83 NFKB1 (0.62) NFKB1NFKB2RELAABL1KDR
SCHEMBL14046922 0.83 NFKB1 (0.71) NFKB1NFKB2RELAABL1KDR
SCHEMBL2141238 0.82 NFKB1 (0.60) NFKB1NFKB2RELAABL1KDR
SCHEMBL2139666 0.82 NFKB1 (0.69) NFKB1NFKB2RELAABL1KDR
SCHEMBL2141296 0.81 NFKB1 (0.72) NFKB1NFKB2RELAABL1KDR
SCHEMBL2139370 0.80 NFKB1 (1.00) NFKB1NFKB2RELAABL1KDR
SCHEMBL30316128 0.80 NFKB1 (1.00) NFKB1NFKB2RELAABL1KDR

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
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
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.