SCHEMBL521367

SCHEMBL521367

CN1CCN(c2ccc(Nc3ncc4cc(Br)cn4n3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 6/20 0.55
INSR P06213 4/20 0.55
JAK2 O60674 3/20 0.53
CYP3A4 P08684 1/20 0.53
EGFR P00533 11/20 0.50
KDR P35968 2/20 0.50
JAK3 P52333 1/20 0.48
PTK2 Q05397 1/20 0.48
FGFR1 P11362 1/20 0.48
MAP4K1 Q92918 1/20 0.47

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
SCHEMBL522245 0.83 MAP4K4 (0.55) ALKINSRJAK2CYP3A4EGFR
SCHEMBL521539 0.81 ALK (0.57) ALKINSRJAK2CYP3A4EGFR
SCHEMBL2961783 0.80 EGFR (0.60) ALKINSREGFRKDRFGFR1
SCHEMBL519959 0.79 ALK (0.69) ALKINSRJAK2CYP3A4EGFR
SCHEMBL520924 0.79 JAK2 (0.70) ALKINSRJAK2CYP3A4KDR
SCHEMBL519220 0.75 ALK (0.55) ALKINSRJAK2CYP3A4EGFR
SCHEMBL521250 0.74 ALK (0.71) ALKINSRJAK2CYP3A4
SCHEMBL521502 0.74 JAK2 (0.56) ALKINSRJAK2CYP3A4JAK3
SCHEMBL521154 0.74 ALK (0.49) ALKINSRJAK2CYP3A4JAK3
SCHEMBL5494517 0.74 MAP4K1 (0.62) ALKEGFRKDRFGFR1MAP4K1

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 2/4885INSR 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.