SCHEMBL520567

SCHEMBL520567

CN1CCC(C(=O)N2CCC(c3ccc(N)cc3)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.55
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
SMYD3 Q9H7B4 1/20 0.46
QDPR P09417 2/20 0.44
TLR9 Q9NR96 1/20 0.44
TLR8 Q9NR97 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
SLC18A3 Q16572 1/20 0.43
KDM1A O60341 2/20 0.43
MAOA P21397 2/20 0.43

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
SCHEMBL3634211 0.90 SLC18A3 (0.49) NAMPTQDPRSLC18A3
SCHEMBL3297763 0.89 HTT (0.53) NAMPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL3810068 0.87 SLC18A3 (0.54) NAMPTSLC18A3
SCHEMBL25513439 0.84 NAMPT (0.54) NAMPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL158531 0.83 QDPR (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL521101 0.82 KCNH2 (0.52) NAMPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL3816677 0.82 SLC18A3 (0.46) NAMPTQDPRSLC18A3
SCHEMBL520922 0.81 KMT2A (0.53) NAMPTSLC18A3
SCHEMBL3303482 0.81 DGAT1 (0.48) NAMPTSMYD3SLC18A3
SCHEMBL3809829 0.81 SLC18A3 (0.51) NAMPTQDPRSLC18A3

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 NAMPT 2842/4885HDAC3 841/4885HDAC4 868/4885

“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.