SCHEMBL520253

SCHEMBL520253

C[S+]([O-])c1ncc2ccc(-c3ccccc3NS(C)(=O)=O)n2n1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 6/20 0.53
INSR P06213 3/20 0.53
JAK2 O60674 6/20 0.39
SLC22A12 Q96S37 2/20 0.37
KDM1A O60341 1/20 0.36
CYP3A4 P08684 1/20 0.35
ALOX5AP P20292 4/20 0.35
FEN1 P39748 4/20 0.35
NPM1 P06748 2/20 0.34
PARP14 Q460N5 1/20 0.33
TGFBR1 P36897 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
SCHEMBL2498821 0.89 ALK (0.43) ALKINSRJAK2SLC22A12CYP3A4
SCHEMBL522193 0.86 ALK (0.41) ALKINSRJAK2PARP14
SCHEMBL2508114 0.83 ALK (0.39) ALKINSRJAK2CYP3A4NPM1
SCHEMBL520246 0.83 ALK (0.51) ALKINSRJAK2CYP3A4ALOX5AP
SCHEMBL521377 0.82 ABCG2 (0.41) ALKINSRJAK2CYP3A4NPM1
SCHEMBL521529 0.82 INSR (0.37) ALKINSRSLC22A12KDM1AALOX5AP
SCHEMBL520428 0.80 JAK2 (0.37) ALKINSRJAK2CYP3A4ALOX5AP
SCHEMBL526559 0.79 JAK2 (0.37) ALKINSRJAK2CYP3A4
SCHEMBL519693 0.79 ALK (0.53) ALKINSRJAK2CYP3A4NPM1
SCHEMBL520429 0.79 ALK (0.37) ALKINSRJAK2CYP3A4

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 ALK 2/4885INSR 1738/4885JAK2 1/4885

“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.