SCHEMBL521225

SCHEMBL521225

C[S+]([O-])c1ncc2ccc(-c3cccc(N4CCCS4(=O)=O)c3)n2n1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
PIK3C3 Q8NEB9 2/20 0.36
TP53 P04637 7/20 0.36
PTK2 Q05397 1/20 0.36
MAPT P10636 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
CPT1A P50416 2/20 0.34
JAK2 O60674 1/20 0.34
INSR P06213 1/20 0.34
ALK Q9UM73 1/20 0.34
UTRN P46939 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
SCHEMBL521226 0.89 INSR (0.34) JAK2INSRALK
SCHEMBL521540 0.83 POLB (0.42) POLBPIK3C3TP53PTK2MAPT
SCHEMBL520694 0.82 POLB (0.38) POLBPIK3C3TP53PTK2MAPT
SCHEMBL521875 0.80 ALOX5AP (0.41) PIK3C3JAK2INSRALK
SCHEMBL2536859 0.79 JAK2 (0.40) POLBPIK3C3TP53PTK2MAPT
SCHEMBL522096 0.77 JAK2 (0.61) PTK2JAK2INSRALK
SCHEMBL3470162 0.76 CDK9 (0.42) PTK2CDK8JAK2INSRALK
SCHEMBL521632 0.75 PIK3C3 (0.47) PIK3C3TP53PTK2JAK2INSR
SCHEMBL519160 0.74 DYRK3 (0.43) PTK2MAPTJAK2INSRALK
SCHEMBL520344 0.74 DYRK1A (0.45) PTK2CDK8JAK2INSRALK

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 POLB 860/4885PIK3C3 119/4885TP53 213/4885

“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.