SCHEMBL520443

SCHEMBL520443

COc1cc(C2CCN(C(=O)CN(C)C)CC2)ccc1N

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.53
CHEK1 O14757 1/20 0.49
ADAM17 P78536 2/20 0.48
ADAMTS5 Q9UNA0 2/20 0.48
PDE4B Q07343 8/20 0.47
TLR9 Q9NR96 7/20 0.47
TLR8 Q9NR97 7/20 0.47
TLR7 Q9NYK1 7/20 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
SCHEMBL15652563 0.88 QDPR (0.55) QDPRADAM17ADAMTS5PDE4B
SCHEMBL13362111 0.88 QDPR (0.55) QDPRADAM17ADAMTS5PDE4B
SCHEMBL17197281 0.85 QDPR (0.52) QDPRADAM17ADAMTS5PDE4B
SCHEMBL15651086 0.85 QDPR (0.52) QDPRADAM17ADAMTS5PDE4BTLR9
SCHEMBL2227613 0.84 QDPR (0.59) QDPRPDE4B
SCHEMBL3311407 0.84 QDPR (0.74) QDPRPDE4BTLR7
SCHEMBL17076795 0.81 QDPR (0.55) QDPRADAM17ADAMTS5PDE4B
SCHEMBL15651488 0.81 QDPR (0.55) QDPRADAM17ADAMTS5PDE4B
SCHEMBL15653074 0.81 QDPR (0.55) QDPRADAM17ADAMTS5PDE4B
SCHEMBL520850 0.80 MEN1 (0.50) QDPRPDE4BTLR9TLR8TLR7

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 QDPR 807/4885CHEK1 1646/4885ADAM17 3999/4885

“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.