SCHEMBL521949

SCHEMBL521949

COc1cc(C2(C#N)CCC(=O)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.58
PDE4A P27815 10/20 0.58
PDE4C Q08493 10/20 0.58
PDE4D Q08499 10/20 0.58
SIRT6 Q8N6T7 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.39
CHEK1 O14757 2/20 0.39
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL31737590 0.91 SIRT6 (0.48) PDE4BPDE4APDE4CPDE4DSIRT6
SCHEMBL521365 0.83 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DSIRT6
SCHEMBL7381516 0.83 PDE4B (0.75) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL21634399 0.81 KMT2A (0.48) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL2290710 0.81 PDE4B (0.65) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL29859065 0.81 KMT2A (0.48) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL521209 0.80 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DSIRT6
SCHEMBL2290555 0.80 PDE4B (0.63) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL22954488 0.77 OPRM1 (0.56) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL7425652 0.77 PDE4A (0.69) PDE4BPDE4APDE4CPDE4D

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 PDE4B 2705/4885PDE4A 2376/4885PDE4C 3309/4885

“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.