SCHEMBL521256

SCHEMBL521256

CSc1ncc2ccc(-c3cccc(S(=O)(=O)CC4CC4)c3)n2n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.43
PTK2 Q05397 7/20 0.43
KCNH2 Q12809 5/20 0.35
KIF18A Q8NI77 1/20 0.33
INSR P06213 1/20 0.32
ALK Q9UM73 1/20 0.32
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
DYRK3 O43781 1/20 0.31
CCNT1 O60563 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CDK9 P50750 1/20 0.31
CDK5 Q00535 1/20 0.31
DYRK1A Q13627 1/20 0.31
CDK5R1 Q15078 1/20 0.31
DYRK2 Q92630 1/20 0.31
DYRK1B Q9Y463 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
SCHEMBL522170 0.87 JAK2 (0.41) JAK2PTK2KCNH2INSRALK
SCHEMBL521447 0.83 JAK2 (0.41) JAK2PTK2KCNH2INSRALK
SCHEMBL522076 0.82 JAK2 (0.41) JAK2PTK2KCNH2KIF18A
SCHEMBL521842 0.78 JAK2 (0.42) JAK2PTK2
SCHEMBL521841 0.78 JAK2 (0.42) JAK2PTK2
SCHEMBL520795 0.78 JAK2 (0.58) JAK2PTK2KCNH2INSRALK
Nitrous Acid SCHEMBL521356 0.78 JAK2 (0.38) JAK2PTK2KCNH2INSRALK
SCHEMBL3471835 0.77 JAK2 (0.37) JAK2PTK2CCNT1CDK9
SCHEMBL520212 0.75 JAK2 (0.50) JAK2PTK2INSRALK
SCHEMBL522199 0.74 DYRK3 (0.44) JAK2PTK2INSRALKPIM1

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 JAK2 1/4885PTK2 592/4885KCNH2 389/4885

“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.