SCHEMBL520850

SCHEMBL520850

COc1cc(C2CCN(CC(=O)N(C)C)CC2)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TLR9 Q9NR96 8/20 0.47
TLR8 Q9NR97 8/20 0.47
TLR7 Q9NYK1 8/20 0.47
CDK9 P50750 4/20 0.47
CCNT1 O60563 3/20 0.47
PDE4B Q07343 1/20 0.47
QDPR P09417 2/20 0.46
JAK2 O60674 4/20 0.46
JAK3 P52333 4/20 0.46
PTK2 Q05397 4/20 0.46
CASP3 P42574 1/20 0.45
CASP7 P55210 1/20 0.45

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
SCHEMBL519815 0.87 ALK (0.51) TLR9TLR8TLR7CDK9CCNT1
SCHEMBL28368871 0.85 PDE4B (0.47) PDE4BQDPRJAK2PTK2
SCHEMBL28209999 0.84 QDPR (0.49) PDE4BQDPR
SCHEMBL520437 0.84 INSR (0.52) TLR9TLR8TLR7CDK9CCNT1
SCHEMBL520283 0.83 PDE4B (0.51) PDE4BQDPRJAK2PTK2
SCHEMBL520643 0.82 PDE4B (0.46) PDE4BQDPRJAK2PTK2
SCHEMBL16530506 0.81 QDPR (0.46) TLR9TLR8TLR7PDE4BQDPR
SCHEMBL520443 0.80 QDPR (0.53) TLR9TLR8TLR7PDE4BQDPR
SCHEMBL20725583 0.80 QDPR (0.49) QDPR
SCHEMBL1813682 0.80 MEN1 (0.49) MEN1KMT2ATLR9TLR8TLR7

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 MEN1 3470/4885KMT2A 114/4885TLR9 1729/4885

“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.