SCHEMBL520772

SCHEMBL520772

COc1ccc(-c2ccc3cnc(OS(=O)(=O)C(F)(F)F)nn23)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.44
FYN P06241 4/20 0.40
PTK2 Q05397 2/20 0.40
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
DYRK3 O43781 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK2 Q92630 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
JAK1 P23458 1/20 0.36
TNF P01375 1/20 0.36
KDR P35968 1/20 0.35
INSR P06213 1/20 0.34
ALK Q9UM73 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
PIK3CA P42336 1/20 0.34
MKNK1 Q9BUB5 1/20 0.33

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
SCHEMBL2509986 0.86 JAK2 (0.47) JAK2FYNPTK2PTGS1PTGS2
SCHEMBL2512061 0.83 JAK2 (0.51) JAK2FYNPTK2INSRALK
SCHEMBL19484986 0.83 INSR (0.41) JAK2FYNPTK2PTGS1PTGS2
SCHEMBL19221996 0.80 PTGS2 (0.38) JAK2FYNPTK2PTGS1PTGS2
SCHEMBL19221927 0.79 FYN (0.37) JAK2FYNCCNA2CDK2JAK1
SCHEMBL19221953 0.79 EGFR (0.35) JAK2PTK2INSRALK
SCHEMBL520634 0.79 JAK2 (0.50) JAK2PTK2PTGS2INSRALK
SCHEMBL2508069 0.78 JAK2 (0.55) JAK2PTK2INSRALK
SCHEMBL19221948 0.77 CA12 (0.38) JAK2PTK2PTGS1PTGS2INSR
SCHEMBL522075 0.77 KCNH2 (0.45) JAK2PTK2DYRK3CCNA2CDK2

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 1/4885FYN 195/4885PTK2 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.