SCHEMBL521369

SCHEMBL521369

CC(=O)c1ccccc1-c1ccc2cnc([S+](C)[O-])nn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 4/20 0.41
INSR P06213 3/20 0.41
CYP17A1 P05093 1/20 0.38
JAK2 O60674 9/20 0.35
KDM4C Q9H3R0 1/20 0.34
PTK2 Q05397 3/20 0.33
NPM1 P06748 2/20 0.33
DAPK3 O43293 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
PAK4 O96013 1/20 0.32
ABL1 P00519 1/20 0.32
CSF1R P07333 1/20 0.32
RET P07949 1/20 0.32
MET P08581 1/20 0.32
PDGFRB P09619 1/20 0.32
PIM1 P11309 1/20 0.32
FGFR1 P11362 1/20 0.32
PDGFRA P16234 1/20 0.32
PRKACA P17612 1/20 0.32

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
SCHEMBL521377 0.83 ABCG2 (0.41) ALKINSRJAK2NPM1NPC1
SCHEMBL520010 0.83 FYN (0.40) ALKINSRJAK2NPM1ALDH1A1
SCHEMBL521052 0.81 JAK2 (0.38) ALKINSRJAK2PTK2NPM1
SCHEMBL521518 0.80 EGLN2 (0.39) ALKINSRJAK2NPM1PIM1
SCHEMBL521474 0.80 EGLN2 (0.39) ALKINSRJAK2NPM1PIM1
SCHEMBL519194 0.79 JAK2 (0.55) ALKINSRJAK2NPM1
SCHEMBL520246 0.79 ALK (0.51) ALKINSRJAK2NPM1ALOX5AP
SCHEMBL520503 0.78 INSR (0.42) ALKINSRCYP17A1JAK2KDM4C
SCHEMBL521355 0.78 JAK2 (0.43) ALKINSRJAK2NPM1
SCHEMBL520890 0.77 HSD11B1 (0.37) JAK2ALDH1A1HSD17B10

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 ALK 2/4885INSR 1738/4885CYP17A1 2619/4885

“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.