SCHEMBL521222

SCHEMBL521222

COc1cc2c(cc1Nc1ncc3ccc(-c4ccccc4OC)n3n1)C(=O)CC1(CCN(C)CC1)O2

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 14/20 0.59
INSR P06213 7/20 0.59
NPM1 P06748 6/20 0.59
JAK2 O60674 8/20 0.53
CYP3A4 P08684 1/20 0.53
PTK2 Q05397 1/20 0.48

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
SCHEMBL521720 0.87 ALK (0.62) ALKINSRNPM1JAK2CYP3A4
SCHEMBL520570 0.78 ALK (0.68) ALKINSRNPM1JAK2CYP3A4
SCHEMBL519560 0.77 ALK (0.70) ALKINSRNPM1JAK2CYP3A4
SCHEMBL519956 0.75 ALK (0.88) ALKINSRNPM1JAK2CYP3A4
SCHEMBL520164 0.74 ALK (1.00) ALKINSRNPM1JAK2CYP3A4
SCHEMBL520307 0.74 ALK (0.70) ALKINSRNPM1JAK2CYP3A4
SCHEMBL520227 0.74 ALK (1.00) ALKINSRNPM1JAK2CYP3A4
SCHEMBL520209 0.73 ALK (1.00) ALKINSRNPM1JAK2CYP3A4
SCHEMBL520147 0.73 ALK (0.59) ALKINSRNPM1JAK2CYP3A4
SCHEMBL520098 0.73 ALK (0.71) ALKINSRNPM1JAK2CYP3A4

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
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP 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 1738/4885NPM1 1309/4885

“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.