SCHEMBL521529

SCHEMBL521529

Cc1cc2cnc([S+](C)[O-])nn2c1-c1ccccc1NS(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 1/20 0.37
ALK Q9UM73 1/20 0.37
ALOX5AP P20292 5/20 0.36
FEN1 P39748 5/20 0.36
SLC22A12 Q96S37 2/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
CECR2 Q9BXF3 1/20 0.35
BRD9 Q9H8M2 1/20 0.35
KDM1A O60341 1/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
TP53 P04637 2/20 0.34
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
TGFBR1 P36897 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 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
SCHEMBL520253 0.82 ALK (0.53) INSRALKALOX5APFEN1SLC22A12
SCHEMBL519300 0.81 INSR (0.38) INSRALKALOX5APFEN1SLC22A12
SCHEMBL521009 0.80 ALK (0.37) INSRALKALOX5APFEN1
SCHEMBL2534040 0.80 INSR (0.37) INSRALKALOX5APFEN1SLC22A12
SCHEMBL522193 0.73 ALK (0.41) INSRALKPTGS1PTGS2TP53
SCHEMBL2509793 0.72 ALOX5AP (0.39) ALOX5APFEN1SLC22A12BRD4PTGS1
SCHEMBL2498821 0.72 ALK (0.43) INSRALKALOX5APFEN1SLC22A12
SCHEMBL520429 0.68 ALK (0.37) INSRALK
SCHEMBL519625 0.67 JAK2 (0.48) BRD4TP53KDM4EALOX15TSHR
SCHEMBL520246 0.67 ALK (0.51) INSRALKALOX5APFEN1

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 INSR 1738/4885ALK 2/4885ALOX5AP 2284/4885

“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.