SCHEMBL519344

SCHEMBL519344

COc1ccc(-c2ccc3cnc([S+](C)[O-])nn23)cn1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.48
FYN P06241 7/20 0.42
PTK2 Q05397 2/20 0.41
JAK1 P23458 1/20 0.37
KDR P35968 1/20 0.36
CYP2A6 P11509 2/20 0.36
INSR P06213 1/20 0.35
ALK Q9UM73 1/20 0.35
HASPIN Q8TF76 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34

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
SCHEMBL520956 0.87 JAK2 (0.46) JAK2FYNPTK2JAK1KDR
SCHEMBL521246 0.79 JAK2 (0.52) JAK2FYNPTK2JAK1KDR
SCHEMBL520662 0.79 INSR (0.44) JAK2FYNPTK2KDRINSR
SCHEMBL520068 0.77 GAA (0.41) JAK2FYNPTK2CYP2A6INSR
SCHEMBL520035 0.76 JAK2 (0.41) JAK2FYNPTK2INSRALK
SCHEMBL519194 0.76 JAK2 (0.55) JAK2INSRALK
SCHEMBL519725 0.76 JAK2 (0.42) JAK2PTK2
SCHEMBL519792 0.74 FYN (0.40) FYNINSRALK
SCHEMBL520575 0.74 JAK2 (0.43) JAK2INSRALKHASPIN
SCHEMBL3470162 0.73 CDK9 (0.42) JAK2FYNPTK2KDRINSR

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.