SCHEMBL45132

SCHEMBL45132

CS(=O)(=O)Nc1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)c(F)c1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 3/20 0.61
JAK1 P23458 10/20 0.59
JAK2 O60674 9/20 0.58
JAK3 P52333 1/20 0.58

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
SCHEMBL42662 0.90 JAK1 (0.58) TYK2JAK1JAK2JAK3
SCHEMBL42847 0.87 JAK1 (0.59) TYK2JAK1JAK2JAK3
SCHEMBL13031180 0.85 JAK1 (0.68) TYK2JAK1JAK2JAK3
SCHEMBL13031243 0.85 JAK1 (0.80) TYK2JAK1JAK2JAK3
SCHEMBL42846 0.82 JAK2 (0.63) TYK2JAK1JAK2JAK3
SCHEMBL29469350 0.82 JAK1 (0.56) TYK2JAK1JAK2JAK3
SCHEMBL41444 0.82 JAK2 (0.73) TYK2JAK1JAK2JAK3
SCHEMBL13031263 0.81 JAK1 (0.72) TYK2JAK1JAK2JAK3
SCHEMBL10063385 0.80 JAK1 (0.73) TYK2JAK1JAK2JAK3
SCHEMBL13031358 0.77 JAK1 (0.78) TYK2JAK1JAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130143915-A1 TRIAZOLOPYRIDINES AS TYK2 INHIBITORS CELLZOME LIMITED (GB) 2013-06-06 US claimed
EP-2588105-A1 TRIAZOLOPYRIDINES AS TYK2 INHIBITORS Cellzome Limited (GB) 2013-05-08 EP claimed
WO-2012000970-A1 TRIAZOLOPYRIDINES AS TYK2 INHIBITORS CELLZOME LIMITED (GB) 2012-01-05 WO claimed
US-20130143915-A1 TRIAZOLOPYRIDINES AS TYK2 INHIBITORS CELLZOME LIMITED (GB) 2013-06-06 US disclosed
US-20130143915-A1 TRIAZOLOPYRIDINES AS TYK2 INHIBITORS CELLZOME LIMITED (GB) 2013-06-06 US disclosed
US-20130143915-A1 TRIAZOLOPYRIDINES AS TYK2 INHIBITORS CELLZOME LIMITED (GB) 2013-06-06 US disclosed
EP-2588105-A1 TRIAZOLOPYRIDINES AS TYK2 INHIBITORS Cellzome Limited (GB) 2013-05-08 EP disclosed
WO-2012000970-A1 TRIAZOLOPYRIDINES AS TYK2 INHIBITORS CELLZOME LIMITED (GB) 2012-01-05 WO disclosed
WO-2012000970-A1 TRIAZOLOPYRIDINES AS TYK2 INHIBITORS CELLZOME LIMITED (GB) 2012-01-05 WO 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-20130143915-A1 TRIAZOLOPYRIDINES AS TYK2 INHIBITORS TYK2, IRAK1, IRAK2 TYK2 1/4885JAK1 6/4885JAK2 5/4885

“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.