SCHEMBL520696

SCHEMBL520696

CN1CCN(c2ccc(Nc3ncc4ccc(NCc5cccc([N+](=O)[O-])c5)n4n3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.55
MET P08581 3/20 0.54
ALK Q9UM73 6/20 0.53
INSR P06213 5/20 0.53
JAK2 O60674 6/20 0.51
CYP3A4 P08684 2/20 0.51
NTRK1 P04629 1/20 0.50
KCNH2 Q12809 1/20 0.49
JAK3 P52333 2/20 0.48
PTK2 Q05397 1/20 0.48
HRH4 Q9H3N8 1/20 0.48
MAPKAPK2 P49137 1/20 0.47
STAT6 P42226 1/20 0.46
EIF2AK2 P19525 1/20 0.45

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
SCHEMBL521903 0.84 JAK2 (0.59) ALKINSRJAK2CYP3A4NTRK1
SCHEMBL520673 0.82 ALK (0.58) BRD4ALKINSRJAK2CYP3A4
SCHEMBL520511 0.78 JAK2 (0.61) METALKINSRJAK2CYP3A4
SCHEMBL521870 0.77 JAK2 (0.57) ALKINSRJAK2CYP3A4NTRK1
SCHEMBL520108 0.76 ALK (0.75) ALKINSRJAK2CYP3A4
SCHEMBL16530367 0.74 ALK (0.68) ALKINSRJAK2CYP3A4NTRK1
SCHEMBL521449 0.74 ALK (0.71) ALKINSRJAK2CYP3A4STAT6
SCHEMBL2949686 0.74 BRD4 (0.63) BRD4ALKJAK2MAPKAPK2EIF2AK2
SCHEMBL519332 0.73 ALK (0.70) ALKINSRJAK2CYP3A4STAT6
SCHEMBL521512 0.73 ALK (0.72) ALKINSRJAK2CYP3A4

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 10 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-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US claimed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US claimed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP claimed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO claimed
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 BRD4 23/4885MET 1437/4885ALK 2/4885

“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.