SCHEMBL521101

SCHEMBL521101

CN1CCN(C(=O)N2CCC(c3ccc(N)cc3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
KDM1A O60341 3/20 0.46
MAOB P27338 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
SLC18A3 Q16572 1/20 0.46
QDPR P09417 4/20 0.43
NAMPT P43490 2/20 0.43
FAAH O00519 1/20 0.43
MAOA P21397 2/20 0.42

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
SCHEMBL3297763 0.82 HTT (0.53) KDM1AMAOBHDAC3HDAC4HDAC1
SCHEMBL520567 0.82 NAMPT (0.55) KDM1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL3525695 0.82 TLR9 (0.48) KDM1AMAOBHDAC3HDAC4HDAC1
SCHEMBL158531 0.82 QDPR (0.55) KDM1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL3080099 0.81 QDPR (0.62) KCNH2HRH3KDM1AMAOBSLC18A3
SCHEMBL520243 0.80 ALDH1A1 (0.55) KCNH2HRH3SLC18A3FAAHALDH1A1
SCHEMBL265000 0.79 SLC18A3 (0.51) KCNH2HRH3SLC18A3QDPRNAMPT
SCHEMBL18390882 0.78 KCNH2 (0.62) KCNH2HRH3HSD11B1ALDH1A1MAPT
SCHEMBL3634211 0.76 SLC18A3 (0.49) SLC18A3QDPRNAMPTALDH1A1
SCHEMBL31488868 0.76 NAMPT (0.58) KCNH2HRH3SLC18A3QDPRNAMPT

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 KCNH2 389/4885HRH3 1453/4885KDM1A 307/4885

“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.