SCHEMBL519442

SCHEMBL519442

c1cncc(-c2ccc3cnc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.58
JAK3 P52333 4/20 0.58
PTK2 Q05397 3/20 0.58
INSR P06213 3/20 0.54
ALK Q9UM73 2/20 0.54
SLC2A1 P11166 1/20 0.51
BRAF P15056 1/20 0.51
CHRNB2 P17787 1/20 0.50
CHRNA4 P43681 1/20 0.50
BACE1 P56817 3/20 0.49
AXL P30530 2/20 0.49
LTA4H P09960 1/20 0.49
MAP3K7 O43318 1/20 0.49
IRAK4 Q9NWZ3 1/20 0.49
FLT1 P17948 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
SRC P12931 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
SCHEMBL520470 0.93 INSR (0.58) JAK2JAK3PTK2INSRALK
SCHEMBL518789 0.92 INSR (0.58) JAK2JAK3PTK2INSRALK
SCHEMBL519899 0.88 INSR (0.57) JAK2JAK3PTK2INSRALK
SCHEMBL520536 0.81 JAK2 (0.72) JAK2JAK3PTK2INSRALK
SCHEMBL519643 0.81 BACE1 (0.53) JAK2JAK3PTK2INSRALK
SCHEMBL531322 0.80 JAK2 (0.69) JAK2JAK3PTK2INSRALK
SCHEMBL520935 0.79 INSR (0.53) JAK2JAK3PTK2INSRALK
SCHEMBL519146 0.79 ALK (0.64) JAK2PTK2INSRALK
SCHEMBL520130 0.77 JAK2 (0.66) JAK2JAK3PTK2INSRALK
SCHEMBL519994 0.77 ALK (0.83) JAK2INSRALK

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 1/4885JAK3 6/4885PTK2 592/4885

“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.