SCHEMBL520983

SCHEMBL520983

COc1cc([C@]2(C#N)CC[C@H](N3CCOCC3)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.41
PDE4B Q07343 12/20 0.41
PDE4A P27815 11/20 0.41
PDE4C Q08493 11/20 0.41
PDE4D Q08499 11/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.39
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL520984 1.00 SIRT6 (0.41) SIRT6PDE4BPDE4APDE4CPDE4D
SCHEMBL521027 0.83 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL521028 0.83 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL31737590 0.82 SIRT6 (0.48) SIRT6PDE4BPDE4APDE4CPDE4D
SCHEMBL521365 0.81 PDE4B (0.48) SIRT6PDE4BPDE4APDE4CPDE4D
SCHEMBL2873632 0.81 MEN1 (0.43) ALDH1A1LMNAKMT2AMAPT
SCHEMBL2873636 0.81 MEN1 (0.43) ALDH1A1LMNAKMT2AMAPT
SCHEMBL12856149 0.77 ALDH1A1 (0.46) SIRT6ALDH1A1LMNAHTTKMT2A
SCHEMBL521949 0.77 PDE4B (0.58) SIRT6PDE4BPDE4APDE4CPDE4D
SCHEMBL5469632 0.76 KMT2A (0.61) ALDH1A1KMT2AMAPT

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 SIRT6 3364/4885PDE4B 2705/4885PDE4A 2376/4885

“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.