SCHEMBL520283

SCHEMBL520283

COc1cc(C2CCN(CC(N)=O)C2)ccc1N

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 17/20 0.51
PDE4A P27815 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
INSR P06213 2/20 0.46
NPM1 P06748 2/20 0.46
ALK Q9UM73 2/20 0.46
JAK2 O60674 1/20 0.46
PTK2 Q05397 1/20 0.46
QDPR P09417 1/20 0.45

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
SCHEMBL519815 0.94 ALK (0.51) PDE4BINSRNPM1ALKJAK2
SCHEMBL521210 0.93 PDE4B (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL520850 0.83 MEN1 (0.50) PDE4BJAK2PTK2QDPR
SCHEMBL28209999 0.81 QDPR (0.49) PDE4BQDPR
SCHEMBL520437 0.81 INSR (0.52) PDE4BINSRNPM1ALKQDPR
SCHEMBL12705535 0.81 CCR5 (0.47) INSRNPM1ALKJAK2PTK2
SCHEMBL28368871 0.80 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DINSR
SCHEMBL20725583 0.79 QDPR (0.49) QDPR
SCHEMBL520643 0.79 PDE4B (0.46) PDE4BINSRNPM1ALKJAK2
SCHEMBL519694 0.79 QDPR (0.52) QDPR

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.