SCHEMBL521086

SCHEMBL521086

C[S+]([O-])c1ncc2ccc(-c3cccc(S(=O)(=O)N4CC[C@H](O)C4)c3)n2n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.40
PTK2 Q05397 3/20 0.40
TLR8 Q9NR97 5/20 0.39
PIK3CD O00329 2/20 0.39
PIK3CG P48736 2/20 0.39
PIK3CB P42338 1/20 0.39
SYK P43405 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
TDO2 P48775 1/20 0.35

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
SCHEMBL523472 1.00 JAK2 (0.40) JAK2PTK2TLR8PIK3CDPIK3CG
SCHEMBL521842 0.84 JAK2 (0.42) JAK2PTK2TLR8PIK3CDPIK3CG
SCHEMBL521841 0.84 JAK2 (0.42) JAK2PTK2TLR8PIK3CDPIK3CG
SCHEMBL520240 0.80 KCNH2 (0.48) JAK2PTK2KCNH2
SCHEMBL522076 0.79 JAK2 (0.41) JAK2PTK2KCNH2
SCHEMBL520743 0.77 JAK2 (0.51) JAK2PTK2PIK3CDPIK3CGPIK3CB
SCHEMBL520742 0.77 JAK2 (0.51) JAK2PTK2PIK3CDPIK3CGPIK3CB
SCHEMBL519748 0.75 JAK2 (0.56) JAK2PTK2PIK3CDPIK3CGPIK3CB
SCHEMBL520688 0.73 JAK2 (0.48) JAK2PTK2PIK3CDPIK3CGPIK3CB
SCHEMBL522554 0.73 JAK2 (0.48) JAK2PTK2PIK3CDPIK3CGPIK3CB

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
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 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 (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-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 JAK2 1/4885PTK2 592/4885TLR8 2914/4885

“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.