SCHEMBL520525

SCHEMBL520525

COc1cc(N2CCC(N3CCCN(CCO)CC3)CC2)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 13/20 0.46
L3MBTL1 Q9Y468 12/20 0.46
EGFR P00533 1/20 0.46
TP53BP1 Q12888 3/20 0.45
MBTD1 Q05BQ5 2/20 0.45
PLK1 P53350 1/20 0.40
ALK Q9UM73 3/20 0.39
INSR P06213 1/20 0.39
IGF1R P08069 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39

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
SCHEMBL521436 0.94 EGFR (0.43) L3MBTL3L3MBTL1EGFRTP53BP1MBTD1
SCHEMBL14180538 0.87 TLR9 (0.48) ALKTLR9TLR8TLR7
SCHEMBL10206202 0.87 L3MBTL3 (0.53) L3MBTL3L3MBTL1EGFRTP53BP1MBTD1
SCHEMBL521798 0.85 MEN1 (0.41) EGFRPLK1
SCHEMBL311282 0.85 TGFBR1 (0.41) L3MBTL3L3MBTL1EGFRTP53BP1MBTD1
SCHEMBL520521 0.85 ALK (0.48) L3MBTL3L3MBTL1EGFRALKINSR
SCHEMBL2234370 0.84 GAA (0.47) ALK
SCHEMBL520836 0.84 L3MBTL1 (0.57) L3MBTL3L3MBTL1EGFRTP53BP1MBTD1
SCHEMBL309548 0.83 L3MBTL1 (0.55) L3MBTL3L3MBTL1TP53BP1MBTD1
SCHEMBL13981638 0.83 L3MBTL1 (0.55) L3MBTL3L3MBTL1TP53BP1MBTD1

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 L3MBTL3 3289/4885L3MBTL1 2484/4885EGFR 1187/4885

“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.