SCHEMBL521028

SCHEMBL521028

COc1cc(C2(C#N)CCC(N3CCOCC3)CC2)ccc1N

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.42
PDE4A P27815 13/20 0.42
PDE4C Q08493 13/20 0.42
PDE4D Q08499 13/20 0.42
OPRL1 P41146 2/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
BACE1 P56817 1/20 0.40
ALK Q9UM73 1/20 0.39
KMT2A Q03164 1/20 0.38

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
SCHEMBL521027 1.00 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DOPRL1
SCHEMBL520984 0.83 SIRT6 (0.41) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL520983 0.83 SIRT6 (0.41) PDE4BPDE4APDE4CPDE4DKMT2A
SCHEMBL5469627 0.81 KMT2A (0.61) OPRL1IRAK4BACE1KMT2A
SCHEMBL5469632 0.81 KMT2A (0.61) OPRL1IRAK4BACE1KMT2A
SCHEMBL2868029 0.81 OPRL1 (0.45) OPRL1IRAK4
SCHEMBL2868031 0.81 OPRL1 (0.45) OPRL1IRAK4
SCHEMBL520657 0.78 PDE4B (0.51) PDE4BPDE4APDE4CPDE4D
SCHEMBL522340 0.74 IRAK4 (0.44) IRAK4
SCHEMBL522383 0.74 IRAK4 (0.44) IRAK4

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.