SCHEMBL519205

SCHEMBL519205

COc1cc(N2CCC(N3CCC(O)C3)CC2)ccc1N

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.40
CCR4 P51679 1/20 0.40
KCNA5 P22460 5/20 0.40
SCN5A Q14524 5/20 0.40
KCND2 Q9NZV8 5/20 0.40
KCNH2 Q12809 1/20 0.40
DPP4 P27487 6/20 0.39
EML4 Q9HC35 1/20 0.38
ALK Q9UM73 1/20 0.38
PDE7A Q13946 1/20 0.37
SUV39H2 Q9H5I1 1/20 0.37
LGMN Q99538 1/20 0.37
NTSR1 P30989 3/20 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
SCHEMBL519204 1.00 SLC6A4 (0.40) SLC6A4CCR4KCNA5SCN5AKCND2
SCHEMBL520117 1.00 SLC6A4 (0.40) SLC6A4CCR4KCNA5SCN5AKCND2
SCHEMBL3705069 0.93 CCR4 (0.47) SLC6A4CCR4KCNA5SCN5AKCND2
SCHEMBL10205069 0.93 ALK (0.43) DPP4EML4ALKPDE7ASUV39H2
SCHEMBL13177793 0.93 DPP4 (0.40) CCR4DPP4EML4ALKLGMN
SCHEMBL10126749 0.88 DPP4 (0.40) DPP4EML4ALKLGMN
SCHEMBL5406594 0.87 DPP4 (0.46) DPP4PDE7ASUV39H2NTSR1
SCHEMBL3345453 0.87 NTSR1 (0.43) DPP4ALKPDE7ASUV39H2LGMN
SCHEMBL30682434 0.87 NTSR1 (0.43) DPP4ALKPDE7ASUV39H2LGMN
SCHEMBL310068 0.87 NTSR1 (0.43) DPP4ALKPDE7ASUV39H2LGMN

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 6 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
EP-2172461-A1 DI(ARYLAMINO)ARYL COMPOUND Astellas Pharma Inc. (JP) 2010-04-07 EP 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 SLC6A4 1699/4885CCR4 1913/4885KCNA5 656/4885

“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.