SCHEMBL519637

SCHEMBL519637

COc1cc(N2CCCC(N3CCN(C)CC3)C2)ccc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
PTK2B Q14289 1/20 0.41
SIRT6 Q8N6T7 1/20 0.40
TSHR P16473 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
ALK Q9UM73 4/20 0.39
INSR P06213 2/20 0.39
IGF1R P08069 2/20 0.39
DPP4 P27487 3/20 0.38
EGFR P00533 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL13177796 0.93 ALK (0.44) KDM4EGAAMAPTMAPK1HTT
SCHEMBL11333631 0.91 NPC1 (0.45) NPC1TDP1GAATSHRHRH3
SCHEMBL521060 0.87 CHEK1 (0.44) GAAMAPTALKMEN1KMT2A
SCHEMBL521798 0.87 MEN1 (0.41) KDM4EGAAEGFRMEN1KMT2A
SCHEMBL519768 0.86 NPC1 (0.49) NPC1TDP1KDM4EGAAALK
SCHEMBL519347 0.85 SHMT2 (0.44) HRH3ALKMEN1KMT2AALDH1A1
SCHEMBL517468 0.85 ALK (0.50) KDM4EGAAMAPTMAPK1HTT
SCHEMBL13177942 0.84 L3MBTL1 (0.45) TDP1GAAMAPTMAPK1HTT
SCHEMBL520961 0.84 GAK (0.42) KDM4ETSHRALKDPP4MEN1
SCHEMBL520521 0.83 ALK (0.48) KDM4EGAAMAPTMAPK1HTT

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 NPC1 3543/4885TDP1 1698/4885KDM4E 192/4885

“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.