SCHEMBL522477

SCHEMBL522477

CSc1ncc2ccc(-c3ccccc3N3CCCS3(O)O)n2n1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 11/20 0.34
JAK2 O60674 10/20 0.34
INSR P06213 7/20 0.34
NPM1 P06748 4/20 0.34
CYP3A4 P08684 2/20 0.34
MAPT P10636 1/20 0.31
PTK2 Q05397 1/20 0.31

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
SCHEMBL522476 0.88 ALOX5AP (0.42) ALKJAK2INSRNPM1CYP3A4
SCHEMBL521876 0.82 JAK2 (0.33) ALKJAK2INSRNPM1CYP3A4
SCHEMBL520695 0.80 INSR (0.35) ALKJAK2INSRMAPTPTK2
SCHEMBL2533530 0.79 ALK (0.38) ALKJAK2INSRNPM1CYP3A4
SCHEMBL519978 0.75 MAPK1 (0.44) ALKJAK2INSRNPM1CYP3A4
SCHEMBL521486 0.72 JAK2 (0.39) ALKJAK2INSRNPM1CYP3A4
SCHEMBL520259 0.72 EGLN2 (0.40) ALKJAK2INSRNPM1CYP3A4
SCHEMBL521590 0.72 EGLN2 (0.40) ALKJAK2INSRNPM1CYP3A4
SCHEMBL520446 0.71 JAK2 (0.57) ALKJAK2INSRNPM1CYP3A4
SCHEMBL520503 0.71 INSR (0.42) ALKJAK2INSRNPM1MAPT

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 2/4885JAK2 1/4885INSR 1738/4885

“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.