SCHEMBL520243

SCHEMBL520243

CN1CCN(C(=O)N2CCC(c3ccc([N+](=O)[O-])cc3)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
HPGD P15428 3/20 0.55
SLC18A3 Q16572 1/20 0.52
GAA P10253 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SIRT6 Q8N6T7 1/20 0.49
AKR1C3 P42330 1/20 0.48
KCNH2 Q12809 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HRH4 Q9H3N8 2/20 0.47
FAAH O00519 2/20 0.46
MAPT P10636 1/20 0.46
MGLL Q99685 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL426360 0.85 SLC18A3 (0.58) ALDH1A1HPGDSLC18A3GAAMEN1
SCHEMBL520922 0.84 KMT2A (0.53) ALDH1A1HPGDSLC18A3GAAKMT2A
SCHEMBL4184580 0.83 ALDH1A1 (0.58) ALDH1A1HPGDSLC18A3GAAKMT2A
SCHEMBL853823 0.81 SLC18A3 (0.58) ALDH1A1HPGDSLC18A3GAAKMT2A
SCHEMBL521101 0.80 KCNH2 (0.52) ALDH1A1SLC18A3GAAKMT2AKCNH2
SCHEMBL5466738 0.79 SIRT6 (0.79) ALDH1A1HPGDMEN1KMT2ASIRT6
SCHEMBL31488955 0.78 NAMPT (0.54) ALDH1A1HPGDSLC18A3GAAFAAH
SCHEMBL21526510 0.78 SLC18A3 (0.54) ALDH1A1HPGDSLC18A3GAAKMT2A
SCHEMBL7529885 0.78 SMN1; SMN2 (0.52) ALDH1A1HPGDSLC18A3MEN1KMT2A
SCHEMBL1476579 0.77 SLC18A3 (0.53) ALDH1A1HPGDSLC18A3GAAKMT2A

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 ALDH1A1 779/4885HPGD 3064/4885SLC18A3 4672/4885

“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.