SCHEMBL520885

SCHEMBL520885

C[S+]([O-])c1ncc2ccc(-c3cccc(CCC#N)c3)n2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
JAK3 P52333 1/20 0.33
JAK2 O60674 2/20 0.32
PTK2 Q05397 2/20 0.32
INSR P06213 1/20 0.31
ALK Q9UM73 1/20 0.31
FYN P06241 4/20 0.31
NTRK1 P04629 1/20 0.31
NTRK3 Q16288 1/20 0.31
NTRK2 Q16620 1/20 0.31
PIK3CD O00329 1/20 0.30
ABL1 P00519 1/20 0.30
EGFR P00533 1/20 0.30
HCK P08631 1/20 0.30
SRC P12931 1/20 0.30
KDR P35968 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
MTOR P42345 1/20 0.30

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
SCHEMBL521018 0.81 MEN1 (0.40) MEN1KMT2AJAK3JAK2PTK2
SCHEMBL519160 0.78 DYRK3 (0.43) KMT2AJAK2PTK2INSRALK
SCHEMBL521375 0.77 FYN (0.36) JAK3JAK2PTK2INSRALK
SCHEMBL520662 0.77 INSR (0.44) JAK2PTK2INSRALKFYN
SCHEMBL520344 0.75 DYRK1A (0.45) JAK2PTK2INSRALK
SCHEMBL520240 0.74 KCNH2 (0.48) JAK3JAK2PTK2FYNPIK3CA
SCHEMBL3470160 0.73 FYN (0.47) FYNPIK3CD
SCHEMBL520068 0.73 GAA (0.41) JAK2PTK2INSRALKFYN
SCHEMBL521859 0.72 JAK2 (0.60) JAK3JAK2PTK2INSRALK
SCHEMBL519625 0.72 JAK2 (0.48) JAK3JAK2PTK2FYNPIK3CD

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 3 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

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 MEN1 3470/4885KMT2A 114/4885JAK3 6/4885

“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.