SCHEMBL520327

SCHEMBL520327

COc1cc2c(cc1N)CN(C1COC1)C2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.43
RAD52 P43351 1/20 0.39
MAP3K12 Q12852 5/20 0.38
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDE4D Q08499 3/20 0.36
GAA P10253 1/20 0.36
DRD2 P14416 4/20 0.36
DRD1 P21728 3/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
SLC6A4 P31645 1/20 0.36
PKM P14618 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
SCHEMBL520586 0.80 MAOA (0.45) RAD52DRD2DRD1MAOAMAOB
SCHEMBL15652663 0.75 LRRK2 (0.49) PDE4BPDE4D
SCHEMBL520977 0.74 MAOB (0.56) POLBL3MBTL1PDE4DGAAMAOA
SCHEMBL31378016 0.74 MAOB (0.56) POLBL3MBTL1PDE4DGAAMAOA
SCHEMBL24040068 0.73 RAD52 (0.47) PDE4BRAD52PDE4DDRD2DRD1
SCHEMBL520464 0.72 DRD1 (0.35) GAADRD2DRD1PKM
SCHEMBL24869979 0.72 RAD52 (0.46) RAD52PDE4DDRD2DRD1MAOA
SCHEMBL2061466 0.71 ALK (0.41) MAOAMAOBSLC6A4
SCHEMBL20354492 0.70 DPP4 (0.36) GAA
SCHEMBL521456 0.70 HRH3 (0.43) POLBL3MBTL1PDE4DGAAMAOA

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 2705/4885RAD52 4336/4885MAP3K12 412/4885

“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.