SCHEMBL522476

SCHEMBL522476

CSc1ncc2ccc(-c3ccccc3N3CCCS3(=O)=O)n2n1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.42
FEN1 P39748 3/20 0.42
MAPT P10636 1/20 0.35
ALK Q9UM73 8/20 0.35
JAK2 O60674 8/20 0.34
INSR P06213 6/20 0.34
CYP3A4 P08684 2/20 0.34
NPM1 P06748 2/20 0.34
TP53 P04637 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.32

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
SCHEMBL522477 0.88 ALK (0.34) MAPTALKJAK2INSRCYP3A4
SCHEMBL521875 0.82 ALOX5AP (0.41) ALOX5APFEN1ALKJAK2INSR
SCHEMBL2533533 0.80 ALOX5AP (0.39) ALOX5APFEN1ALKJAK2INSR
SCHEMBL520694 0.80 POLB (0.38) MAPTALKJAK2INSRTP53
SCHEMBL519978 0.72 MAPK1 (0.44) MAPTALKJAK2INSRCYP3A4
SCHEMBL520259 0.72 EGLN2 (0.40) MAPTALKJAK2INSRCYP3A4
SCHEMBL521486 0.72 JAK2 (0.39) MAPTALKJAK2INSRCYP3A4
SCHEMBL521590 0.72 EGLN2 (0.40) MAPTALKJAK2INSRCYP3A4
SCHEMBL521852 0.72 AURKA (0.42) JAK2CYP3A4
SCHEMBL520303 0.72 JAK2 (0.44) ALKJAK2INSRCYP3A4

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 ALOX5AP 2284/4885FEN1 4025/4885MAPT 3109/4885

“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.