SCHEMBL520789

SCHEMBL520789

COc1cc(N2CCCN(C3CCN(C)CC3)CC2)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
INSR P06213 5/20 0.44
IGF1R P08069 5/20 0.44
ALK Q9UM73 5/20 0.44
KDM4E B2RXH2 3/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
PTK2B Q14289 1/20 0.44
DCLK1 O15075 1/20 0.43
LRRK2 Q5S007 1/20 0.43
SIRT6 Q8N6T7 1/20 0.43
L3MBTL3 Q96JM7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
EGFR P00533 2/20 0.42
TSHR P16473 1/20 0.42
KHK P50053 1/20 0.41
TLR9 Q9NR96 1/20 0.40

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
SCHEMBL519761 0.95 ALDH1A1 (0.50) ALDH1A1INSRIGF1RALKKDM4E
SCHEMBL29517345 0.95 ALDH1A1 (0.50) ALDH1A1INSRIGF1RALKKDM4E
SCHEMBL520521 0.93 ALK (0.48) INSRIGF1RALKKDM4EGAA
SCHEMBL517468 0.90 ALK (0.50) INSRIGF1RALKKDM4EGAA
SCHEMBL10206202 0.90 L3MBTL3 (0.53) ALDH1A1INSRIGF1RALKL3MBTL3
SCHEMBL520836 0.87 L3MBTL1 (0.57) ALDH1A1INSRIGF1RALKGAA
SCHEMBL30340719 0.87 KHK (0.46) ALDH1A1KDM4ESIRT6TSHRKHK
SCHEMBL521436 0.87 EGFR (0.43) ALDH1A1MAPTL3MBTL3L3MBTL1EGFR
SCHEMBL13981638 0.86 L3MBTL1 (0.55) ALDH1A1GAAMAPTMAPK1HTT
SCHEMBL309548 0.86 L3MBTL1 (0.55) ALDH1A1GAAMAPTMAPK1HTT

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 ALDH1A1 779/4885INSR 1738/4885IGF1R 1028/4885

“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.