SCHEMBL520166

SCHEMBL520166

O=C(c1ccc(Nc2ncc3ccc(-c4cccnc4)n3n2)cc1)N1CCOCC1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.68
INSR P06213 3/20 0.60
ALK Q9UM73 2/20 0.49
MAPK10 P53779 1/20 0.49
LRRK2 Q5S007 1/20 0.48
KIT P10721 1/20 0.48
FLT3 P36888 1/20 0.48
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CES2 O00748 1/20 0.45
NAMPT P43490 1/20 0.44
RIPK1 Q13546 1/20 0.44
PLK4 O00444 1/20 0.44
JAK1 P23458 1/20 0.44
PTK2 Q05397 1/20 0.44
NTRK1 P04629 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43

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
SCHEMBL520837 0.89 ALK (0.59) JAK2INSRALKCES2
SCHEMBL520000 0.86 JAK2 (0.65) JAK2INSRALKMAPK10LRRK2
SCHEMBL518848 0.86 INSR (0.72) JAK2INSRALKMAPK10LRRK2
SCHEMBL519702 0.84 INSR (0.82) JAK2INSRALKMAPK10PTK2
SCHEMBL521724 0.84 JAK2 (0.72) JAK2INSRALKMAPK10LRRK2
SCHEMBL520021 0.82 INSR (0.68) JAK2INSRALKMAPK10LRRK2
SCHEMBL520261 0.81 JAK2 (1.00) JAK2INSRALKMAPTPTK2
SCHEMBL519064 0.80 INSR (0.68) JAK2INSRALKPTK2
SCHEMBL519764 0.79 INSR (0.52) JAK2INSRALKNTRK1
SCHEMBL520604 0.79 JAK2 (0.55) JAK2INSRKITFLT3MAPT

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 JAK2 1/4885INSR 1738/4885ALK 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.