SCHEMBL519353

SCHEMBL519353

CN1CCN(c2ccc(Nc3ncc4ccc(-c5ccccc5NS(=O)(=O)C(C)(C)C)n4n3)cc2)CC1

nearest known ligand 0.84

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 8/20 0.84
INSR P06213 6/20 0.84
JAK2 O60674 13/20 0.68
CYP3A4 P08684 2/20 0.68
BRD4 O60885 7/20 0.61
NPM1 P06748 1/20 0.56
JAK1 P23458 1/20 0.55
BRD2 P25440 1/20 0.55
JAK3 P52333 1/20 0.55
BRD3 Q15059 1/20 0.55
BRDT Q58F21 1/20 0.55

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
SCHEMBL2508812 0.92 ALK (0.79) ALKINSRJAK2CYP3A4BRD4
SCHEMBL520919 0.91 ALK (0.70) ALKINSRJAK2CYP3A4BRD4
SCHEMBL519687 0.91 ALK (1.00) ALKINSRJAK2CYP3A4NPM1
SCHEMBL16531842 0.90 ALK (0.84) ALKINSRJAK2CYP3A4NPM1
SCHEMBL520301 0.87 ALK (1.00) ALKINSRJAK2CYP3A4NPM1
SCHEMBL519686 0.86 ALK (0.73) ALKINSRJAK2CYP3A4BRD4
SCHEMBL520656 0.82 ALK (0.84) ALKINSRJAK2CYP3A4NPM1
SCHEMBL521941 0.82 ALK (0.82) ALKINSRJAK2CYP3A4NPM1
SCHEMBL520981 0.82 JAK2 (0.77) ALKINSRJAK2CYP3A4NPM1
SCHEMBL3469442 0.82 JAK2 (0.77) ALKINSRJAK2CYP3A4NPM1

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 3 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 claimed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US claimed
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 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.