SCHEMBL526557

SCHEMBL526557

CNS(=O)(=O)Cc1ccccc1-c1ccc2cnc([S+](C)[O-])nn12

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.38
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
ALK Q9UM73 6/20 0.35
INSR P06213 4/20 0.33
CYP3A4 P08684 2/20 0.33
PTK2 Q05397 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
SCHEMBL520428 0.88 JAK2 (0.37) JAK2ALOX5APFEN1ALKINSR
SCHEMBL2498821 0.80 ALK (0.43) JAK2ALOX5APFEN1ALKINSR
SCHEMBL520246 0.78 ALK (0.51) JAK2ALOX5APFEN1ALKINSR
SCHEMBL520253 0.78 ALK (0.53) JAK2ALOX5APFEN1ALKINSR
SCHEMBL520010 0.77 FYN (0.40) JAK2ALKINSRCYP3A4
SCHEMBL521052 0.76 JAK2 (0.38) JAK2ALKINSRCYP3A4PTK2
SCHEMBL521518 0.75 EGLN2 (0.39) JAK2ALKINSRCYP3A4
SCHEMBL521474 0.75 EGLN2 (0.39) JAK2ALKINSRCYP3A4
SCHEMBL526559 0.74 JAK2 (0.37) JAK2ALKINSRCYP3A4
SCHEMBL519693 0.74 ALK (0.53) JAK2ALKINSRCYP3A4PTK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885ALOX5AP 2284/4885FEN1 4025/4885

“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.