SCHEMBL520956

SCHEMBL520956

CC[S+]([O-])c1ncc2ccc(-c3ccc(OC)nc3)n2n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.46
PTK2 Q05397 2/20 0.41
FYN P06241 8/20 0.40
HASPIN Q8TF76 1/20 0.36
JAK1 P23458 1/20 0.35
KDR P35968 1/20 0.34
CYP2A6 P11509 1/20 0.34
INSR P06213 1/20 0.34
ALK Q9UM73 1/20 0.34
TNF P01375 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 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
SCHEMBL519344 0.87 JAK2 (0.48) JAK2PTK2FYNHASPINJAK1
SCHEMBL519880 0.78 JAK2 (0.42) JAK2PTK2FYNTNF
SCHEMBL521246 0.76 JAK2 (0.52) JAK2PTK2FYNJAK1KDR
SCHEMBL2509986 0.73 JAK2 (0.47) JAK2PTK2FYNJAK1KDR
SCHEMBL520772 0.70 JAK2 (0.44) JAK2PTK2FYNJAK1KDR
SCHEMBL521240 0.66 JAK2 (0.61) JAK2PTK2JAK1INSRALK
SCHEMBL531103 0.66 JAK2 (0.73) JAK2PTK2INSRALK
SCHEMBL520662 0.65 INSR (0.44) JAK2PTK2FYNKDRINSR
SCHEMBL520114 0.65 JAK2 (0.66) JAK2PTK2FYNINSRALK
SCHEMBL521874 0.65 JAK2 (0.67) JAK2PTK2INSRALK

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-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

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 592/4885FYN 195/4885

“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.