SCHEMBL518848

SCHEMBL518848

O=C(c1ccc(-c2ccc3cnc(Nc4ccc(N5CCOCC5)cc4)nn23)cc1)N1CCOCC1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
INSR P06213 5/20 0.72
JAK2 O60674 12/20 0.67
ALK Q9UM73 5/20 0.57
LRRK2 Q5S007 1/20 0.52
JAK3 P52333 3/20 0.48
MAPK10 P53779 1/20 0.48
PTK2 Q05397 1/20 0.48
JAK1 P23458 2/20 0.47
CYP3A4 P08684 1/20 0.47
HDAC3 O15379 1/20 0.46
NCOR1 O75376 1/20 0.46
TYK2 P29597 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MAPKAPK5 Q8IW41 1/20 0.45

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
SCHEMBL520021 0.94 INSR (0.68) INSRJAK2ALKLRRK2JAK3
SCHEMBL519482 0.90 INSR (0.78) INSRJAK2ALKJAK3PTK2
SCHEMBL518856 0.88 INSR (0.71) INSRJAK2ALKJAK3MAPK10
SCHEMBL520166 0.86 JAK2 (0.68) INSRJAK2ALKLRRK2MAPK10
SCHEMBL519064 0.86 INSR (0.68) INSRJAK2ALKJAK3PTK2
SCHEMBL521724 0.85 JAK2 (0.72) INSRJAK2ALKLRRK2JAK3
SCHEMBL520665 0.85 INSR (0.66) INSRJAK2ALKJAK3PTK2
SCHEMBL520176 0.84 INSR (1.00) INSRJAK2ALKJAK3PTK2
SCHEMBL520000 0.84 JAK2 (0.65) INSRJAK2ALKLRRK2MAPK10
SCHEMBL519604 0.83 INSR (0.64) INSRJAK2ALKJAK3MAPK10

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 10 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 claimed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US claimed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US claimed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP claimed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO claimed
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 INSR 1738/4885JAK2 1/4885ALK 2/4885

“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.