SCHEMBL520947

SCHEMBL520947

CC(O)CN1CCC(c2ccc(N)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 5/20 0.52
TLR9 Q9NR96 1/20 0.45
TLR8 Q9NR97 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
ESRRG P62508 1/20 0.45
DRD2 P14416 1/20 0.43
JAK2 O60674 1/20 0.41

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
SCHEMBL520946 1.00 SLC18A3 (0.52) SLC18A3TLR9TLR8TLR7ESRRG
SCHEMBL22805197 0.84 SLC18A3 (0.62) SLC18A3TLR9TLR8TLR7DRD2
SCHEMBL27579835 0.84 DRD2 (0.62) SLC18A3DRD2
SCHEMBL22805198 0.84 SLC18A3 (0.62) SLC18A3TLR9TLR8TLR7DRD2
SCHEMBL8572351 0.84 SLC18A3 (0.56) SLC18A3TLR9TLR8TLR7DRD2
SCHEMBL520725 0.83 SLC18A3 (0.55) SLC18A3TLR9TLR8TLR7
SCHEMBL520726 0.83 SLC18A3 (0.55) SLC18A3TLR9TLR8TLR7
SCHEMBL17630951 0.81 SLC18A3 (0.48) SLC18A3TLR9TLR8TLR7DRD2
SCHEMBL9952448 0.81 KMT2A (0.52) SLC18A3TLR9TLR8TLR7
SCHEMBL520767 0.80 NPM1 (0.49) SLC18A3TLR9TLR8TLR7DRD2

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 SLC18A3 4672/4885TLR9 1729/4885TLR8 2914/4885

“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.