SCHEMBL519477

SCHEMBL519477

NC(=O)CN1CCC(c2ccc(N)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 3/20 0.48
JAK2 O60674 4/20 0.45
PTK2 Q05397 3/20 0.44
DRD4 P21917 3/20 0.44
DRD2 P14416 3/20 0.44
DRD3 P35462 2/20 0.44
SIGMAR1 Q99720 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 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
SCHEMBL15652766 0.87 SLC18A3 (0.48) SLC18A3JAK2DRD4DRD2DRD3
SCHEMBL15649969 0.86 SLC18A3 (0.47) SLC18A3DRD4DRD2DRD3SIGMAR1
SCHEMBL4178029 0.85 SLC18A3 (0.58) SLC18A3DRD4DRD2DRD3SIGMAR1
SCHEMBL520871 0.85 SLC18A3 (0.37) SLC18A3JAK2PTK2SIGMAR1KDM4E
SCHEMBL4706551 0.83 JAK2 (0.48) JAK2PTK2
SCHEMBL1813682 0.82 MEN1 (0.49) SLC18A3JAK2PTK2DRD4DRD2
SCHEMBL23551305 0.79 DRD4 (0.41) SLC18A3DRD4DRD2DRD3
SCHEMBL3165125 0.77 ALDH1A1 (0.57) SLC18A3DRD2SIGMAR1
SCHEMBL24652524 0.77 ALDH1A1 (0.57) SLC18A3DRD2SIGMAR1
SCHEMBL13723874 0.77 SIGMAR1 (0.52) SLC18A3DRD2SIGMAR1HDAC1

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 4672/4885JAK2 1/4885PTK2 592/4885

“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.