SCHEMBL521375

SCHEMBL521375

CN(Cc1cccc(-c2ccc3cnc([S+](C)[O-])nn23)c1)S(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.36
JAK2 O60674 14/20 0.36
PTK2 Q05397 8/20 0.36
JAK3 P52333 4/20 0.36
MTOR P42345 1/20 0.35
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
INSR P06213 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALK Q9UM73 1/20 0.31
NMT1 P30419 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL521544 0.83 JAK2 (0.47) FYNJAK2PTK2MTORINSR
SCHEMBL520240 0.80 KCNH2 (0.48) FYNJAK2PTK2JAK3KCNH2
SCHEMBL521702 0.80 FYN (0.35) FYNJAK2PTK2INSRALK
SCHEMBL519625 0.78 JAK2 (0.48) FYNJAK2PTK2JAK3MTOR
SCHEMBL520885 0.77 MEN1 (0.39) FYNJAK2PTK2JAK3MTOR
SCHEMBL3470162 0.76 CDK9 (0.42) FYNJAK2PTK2INSRALK
SCHEMBL519850 0.76 JAK2 (0.38) FYNJAK2PTK2INSRALK
SCHEMBL519160 0.75 DYRK3 (0.43) FYNJAK2PTK2INSRALK
SCHEMBL520344 0.75 DYRK1A (0.45) JAK2PTK2INSRALK
SCHEMBL520662 0.74 INSR (0.44) FYNJAK2PTK2INSRCYP3A4

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.