SCHEMBL519903

SCHEMBL519903

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

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.41
PTK2 Q05397 4/20 0.41
BRD4 O60885 4/20 0.37
INSR P06213 1/20 0.36
ALK Q9UM73 1/20 0.36
FYN P06241 6/20 0.35

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
SCHEMBL519625 0.89 JAK2 (0.48) JAK2PTK2BRD4FYN
SCHEMBL521326 0.82 KDM4E (0.45) FYN
SCHEMBL519850 0.80 JAK2 (0.38) JAK2PTK2INSRALKFYN
SCHEMBL519748 0.80 JAK2 (0.56) JAK2PTK2
SCHEMBL520240 0.79 KCNH2 (0.48) JAK2PTK2FYN
SCHEMBL3470162 0.77 CDK9 (0.42) JAK2PTK2INSRALKFYN
SCHEMBL519160 0.76 DYRK3 (0.43) JAK2PTK2INSRALKFYN
SCHEMBL521133 0.76 INSR (0.40) JAK2PTK2INSRALKFYN
SCHEMBL520970 0.76 FYN (0.40) FYN
SCHEMBL521544 0.76 JAK2 (0.47) JAK2PTK2BRD4INSRALK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 592/4885BRD4 23/4885

“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.