SCHEMBL521060

SCHEMBL521060

COc1cc(N2CCCC(N3CCOCC3)C2)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.44
MAP4K4 O95819 1/20 0.43
GAK O14976 3/20 0.41
PRKDC P78527 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
JAK2 O60674 1/20 0.40
LGMN Q99538 1/20 0.40
TTK P33981 2/20 0.39
KIT P10721 1/20 0.39
SMPD3 Q9NY59 1/20 0.39
ALK Q9UM73 2/20 0.39
ROS1 P08922 1/20 0.39
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
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
SCHEMBL520455 0.93 SMPD3 (0.44) CHEK1MAP4K4GAKJAK2LGMN
SCHEMBL11333631 0.88 NPC1 (0.45) ALDH1A1GAAALKMEN1KMT2A
SCHEMBL519637 0.87 NPC1 (0.42) ALDH1A1GAAMAPTALKROS1
SCHEMBL310378 0.85 CHEK1 (0.47) CHEK1L3MBTL1JAK2LGMNTTK
SCHEMBL520961 0.85 GAK (0.42) GAKALDH1A1KITALKMEN1
SCHEMBL311196 0.85 SOS1 (0.42) CHEK1GAKJAK2LGMNTTK
SCHEMBL12312243 0.85 SOS1 (0.42) CHEK1GAKJAK2LGMNTTK
SCHEMBL519900 0.84 L3MBTL3 (0.48) CHEK1GAKALDH1A1GAAMAPT
SCHEMBL519768 0.83 NPC1 (0.49) ALDH1A1GAATTKALK
SCHEMBL13177942 0.83 L3MBTL1 (0.45) GAKALDH1A1GAAMAPTL3MBTL1

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 CHEK1 1646/4885MAP4K4 325/4885GAK 1976/4885

“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.