SCHEMBL520776

SCHEMBL520776

COc1cc2c(cc1Nc1ncc3ccc(-c4cccc5c4OCC5)n3n1)CCNCC2

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 15/20 0.49
NPM1 P06748 9/20 0.49
INSR P06213 9/20 0.49
JAK2 O60674 6/20 0.47
MAP4K1 Q92918 1/20 0.44
PTK2 Q05397 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
Hydrochloric Acid SCHEMBL520407 0.99 ALK (0.49) ALKNPM1INSRJAK2MAP4K1
SCHEMBL521953 0.86 ALK (0.53) ALKNPM1INSRJAK2MAP4K1
Hydrochloric Acid SCHEMBL520925 0.85 ALK (0.52) ALKNPM1INSRJAK2MAP4K1
SCHEMBL521721 0.85 ALK (0.60) ALKNPM1INSRJAK2MAP4K1
Hydrochloric Acid SCHEMBL519859 0.84 ALK (0.59) ALKNPM1INSRJAK2MAP4K1
SCHEMBL521034 0.81 ALK (0.77) ALKNPM1INSRJAK2PTK2
SCHEMBL521867 0.81 ALK (0.77) ALKNPM1INSRJAK2PTK2
Hydrochloric Acid SCHEMBL521046 0.80 ALK (0.75) ALKNPM1INSRJAK2PTK2
SCHEMBL522040 0.80 ALK (0.48) ALKNPM1INSRJAK2MAP4K1
Hydrochloric Acid SCHEMBL520706 0.79 ALK (0.48) ALKNPM1INSRJAK2MAP4K1

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 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

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 2/4885NPM1 1309/4885INSR 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.