SCHEMBL519658

SCHEMBL519658

CN1CCN(c2ccc(Nc3ncc4c(Br)cc(-c5ccccc5)n4n3)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 7/20 0.68
INSR P06213 6/20 0.68
MAP4K1 Q92918 1/20 0.55
JAK2 O60674 5/20 0.53
CYP3A4 P08684 2/20 0.53
FYN P06241 2/20 0.52
JAK3 P52333 1/20 0.50
EGFR P00533 5/20 0.49

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
SCHEMBL519410 0.87 JAK2 (0.61) ALKINSRJAK2CYP3A4JAK3
SCHEMBL519220 0.85 ALK (0.55) ALKINSRMAP4K1JAK2CYP3A4
SCHEMBL519757 0.85 JAK2 (0.73) ALKINSRJAK2CYP3A4JAK3
SCHEMBL519479 0.81 ALK (1.00) ALKINSRMAP4K1JAK2CYP3A4
SCHEMBL519128 0.78 JAK2 (0.61) INSRJAK2JAK3
SCHEMBL519531 0.76 ALK (0.60) ALKINSRMAP4K1JAK2CYP3A4
SCHEMBL520952 0.76 JAK2 (0.62) ALKINSRJAK2CYP3A4JAK3
SCHEMBL519907 0.75 ALK (0.64) ALKINSRMAP4K1JAK2CYP3A4
SCHEMBL519801 0.74 JAK2 (0.74) ALKINSRJAK2CYP3A4JAK3
SCHEMBL520309 0.74 ALK (0.68) ALKINSRJAK2CYP3A4JAK3

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 ALK 2/4885INSR 1738/4885MAP4K1 454/4885

“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.