SCHEMBL42846

SCHEMBL42846

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

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.63
JAK3 P52333 3/20 0.63
JAK1 P23458 12/20 0.62
TYK2 P29597 2/20 0.56
IKBKB O14920 1/20 0.56
RIPK2 O43353 1/20 0.56
LCK P06239 1/20 0.56
SYK P43405 1/20 0.56
GSK3B P49841 1/20 0.56
PTK2B Q14289 1/20 0.56

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
SCHEMBL42851 0.88 JAK2 (0.64) JAK2JAK3JAK1TYK2IKBKB
SCHEMBL13031263 0.85 JAK1 (0.72) JAK2JAK3JAK1TYK2IKBKB
SCHEMBL41444 0.85 JAK2 (0.73) JAK2JAK3JAK1TYK2IKBKB
SCHEMBL42847 0.84 JAK1 (0.59) JAK2JAK3JAK1TYK2IKBKB
SCHEMBL13031311 0.84 JAK1 (0.77) JAK2JAK3JAK1TYK2IKBKB
SCHEMBL7960595 0.83 JAK2 (0.80) JAK2JAK3JAK1TYK2IKBKB
SCHEMBL45132 0.82 TYK2 (0.61) JAK2JAK3JAK1TYK2
SCHEMBL13031358 0.82 JAK1 (0.78) JAK2JAK3JAK1TYK2IKBKB
SCHEMBL47247 0.81 JAK2 (0.75) JAK2JAK3JAK1TYK2
SCHEMBL13031371 0.81 JAK2 (0.74) JAK2JAK3JAK1TYK2IKBKB

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 JAK2 5/4885JAK3 10/4885JAK1 6/4885

“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.