SCHEMBL521859

SCHEMBL521859

CN1CCN(c2cccc(Nc3ncc4ccc(-c5cccc(CCC#N)c5)n4n3)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.60
ALK Q9UM73 7/20 0.57
INSR P06213 6/20 0.57
JAK3 P52333 2/20 0.47
JAK1 P23458 1/20 0.47
CYP3A4 P08684 1/20 0.47
NPM1 P06748 1/20 0.46
PTK2 Q05397 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
SCHEMBL520426 0.93 ALK (0.68) JAK2ALKINSRJAK3CYP3A4
SCHEMBL521598 0.87 JAK2 (0.64) JAK2ALKINSRJAK3JAK1
SCHEMBL522329 0.85 JAK2 (0.61) JAK2ALKINSRJAK3JAK1
SCHEMBL521933 0.84 JAK2 (0.62) JAK2ALKINSRJAK3JAK1
SCHEMBL521766 0.83 INSR (0.68) JAK2ALKINSRJAK3JAK1
SCHEMBL521337 0.83 ALK (0.55) JAK2ALKINSRCYP3A4PTK2
SCHEMBL521872 0.83 JAK2 (0.60) JAK2ALKINSRNPM1PTK2
SCHEMBL519548 0.83 JAK2 (0.67) JAK2ALKINSRJAK3CYP3A4
SCHEMBL521344 0.82 JAK2 (0.68) JAK2ALKINSRCYP3A4NPM1
SCHEMBL520571 0.80 JAK2 (0.68) JAK2ALKINSRJAK3CYP3A4

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 JAK2 1/4885ALK 2/4885INSR 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.