SCHEMBL521702

SCHEMBL521702

C[S+]([O-])c1ncc2ccc(-c3cccc(CNCCS(C)(=O)=O)c3)n2n1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.35
JAK2 O60674 8/20 0.33
PTK2 Q05397 5/20 0.33
NMT1 P30419 5/20 0.33
TLR7 Q9NYK1 1/20 0.32
SCN8A Q9UQD0 1/20 0.32
KCNJ5 P48544 1/20 0.31
KCNJ3 P48549 1/20 0.31
INSR P06213 1/20 0.31
ALK Q9UM73 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL519850 0.85 JAK2 (0.38) FYNJAK2PTK2KCNJ5KCNJ3
SCHEMBL521375 0.80 FYN (0.36) FYNJAK2PTK2NMT1INSR
SCHEMBL520240 0.78 KCNH2 (0.48) FYNJAK2PTK2
SCHEMBL519625 0.77 JAK2 (0.48) FYNJAK2PTK2ALDH1A1
SCHEMBL3470162 0.76 CDK9 (0.42) FYNJAK2PTK2INSRALK
SCHEMBL520344 0.75 DYRK1A (0.45) JAK2PTK2INSRALK
SCHEMBL521544 0.75 JAK2 (0.47) FYNJAK2PTK2INSRALK
SCHEMBL520885 0.75 MEN1 (0.39) FYNJAK2PTK2INSRALK
SCHEMBL522307 0.74 INSR (0.62) JAK2PTK2INSRALK
SCHEMBL521617 0.74 JAK2 (0.64) JAK2PTK2INSRALK

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 5 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
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 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-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 FYN 195/4885JAK2 1/4885PTK2 592/4885

“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.