SCHEMBL520458

SCHEMBL520458

CSc1ncc2ccc(-c3cccn3C(=O)OC(C)(C)C)n2n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 0.37
TNK2 Q07912 1/20 0.36
ATR Q13535 1/20 0.33
ALK Q9UM73 1/20 0.33
MET P08581 1/20 0.32
AXL P30530 1/20 0.32
MERTK Q12866 1/20 0.32
BUB1 O43683 1/20 0.32
BCHE P06276 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31

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
SCHEMBL521621 0.81 HSP90AA1 (0.41) HSP90AA1HSP90AB1PIK3R1PIK3CATNK2
SCHEMBL2790381 0.69 HSP90AA1 (0.57) HSP90AA1HSP90AB1PIK3R1PIK3CATNK2
SCHEMBL26819805 0.69 HSP90AA1 (0.50) HSP90AA1HSP90AB1PIK3R1PIK3CATNK2
SCHEMBL23416944 0.68 HSP90AA1 (0.55) HSP90AA1HSP90AB1PIK3R1PIK3CATNK2
SCHEMBL521646 0.68 JAK2 (0.38) ALK
SCHEMBL520503 0.68 INSR (0.42) ALKMET
SCHEMBL22036737 0.67 HSP90AA1 (0.53) HSP90AA1HSP90AB1PIK3R1PIK3CATNK2
SCHEMBL423261 0.67 HSP90AA1 (0.54) HSP90AA1HSP90AB1PIK3R1PIK3CATNK2
SCHEMBL29797726 0.67 HSP90AA1 (0.54) HSP90AA1HSP90AB1PIK3R1PIK3CATNK2
SCHEMBL23416984 0.67 HSP90AA1 (0.54) HSP90AA1HSP90AB1PIK3R1PIK3CATNK2

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 HSP90AA1 3556/4885HSP90AB1 3666/4885PIK3R1 93/4885

“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.