SCHEMBL521544

SCHEMBL521544

CN(c1cccc(-c2ccc3cnc([S+](C)[O-])nn23)c1)S(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.47
PTK2 Q05397 3/20 0.47
BRD4 O60885 1/20 0.38
ALK Q9UM73 4/20 0.34
INSR P06213 2/20 0.34
CYP3A4 P08684 1/20 0.34
NPM1 P06748 2/20 0.34
MET P08581 1/20 0.33
FYN P06241 1/20 0.33
GRIA2 P42262 1/20 0.33
MTOR P42345 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL521375 0.83 FYN (0.36) JAK2PTK2ALKINSRCYP3A4
SCHEMBL520646 0.83 JAK2 (0.52) JAK2PTK2BRD4ALKINSR
SCHEMBL520240 0.83 KCNH2 (0.48) JAK2PTK2FYN
SCHEMBL519625 0.80 JAK2 (0.48) JAK2PTK2BRD4CYP3A4FYN
SCHEMBL519693 0.79 ALK (0.53) JAK2PTK2ALKINSRCYP3A4
SCHEMBL3470162 0.79 CDK9 (0.42) JAK2PTK2ALKINSRFYN
SCHEMBL519160 0.78 DYRK3 (0.43) JAK2PTK2ALKINSRFYN
SCHEMBL520344 0.77 DYRK1A (0.45) JAK2PTK2BRD4ALKINSR
SCHEMBL520662 0.77 INSR (0.44) JAK2PTK2ALKINSRCYP3A4
SCHEMBL521691 0.76 ALK (0.41) JAK2PTK2ALKINSRCYP3A4

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 592/4885BRD4 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.