SCHEMBL519643

SCHEMBL519643

Brc1ccc2cnc(Nc3ccc(OCCN4CCCC4)cc3)nn12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.53
JAK2 O60674 3/20 0.52
JAK3 P52333 3/20 0.52
PTK2 Q05397 2/20 0.52
AXL P30530 7/20 0.50
SLC2A1 P11166 1/20 0.50
BRD4 O60885 1/20 0.49
RET P07949 1/20 0.49
JAK1 P23458 1/20 0.49
TYK2 P29597 1/20 0.49
FLT3 P36888 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
BRAF P15056 1/20 0.49
INSR P06213 2/20 0.46
LTA4H P09960 1/20 0.46
PTGS2 P35354 1/20 0.46
ALK Q9UM73 1/20 0.46

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
SCHEMBL519442 0.81 JAK2 (0.58) BACE1JAK2JAK3PTK2AXL
SCHEMBL520536 0.80 JAK2 (0.72) JAK2JAK3PTK2INSRALK
SCHEMBL31745353 0.77 JAK1 (0.59) BACE1JAK2JAK3AXLBRD4
SCHEMBL2498482 0.77 BACE1 (0.63) BACE1JAK2JAK3AXLBRD4
SCHEMBL521138 0.76 ALK (0.75) JAK2JAK3PTK2INSRALK
SCHEMBL519255 0.75 ALK (0.53) JAK2INSRALK
SCHEMBL4254804 0.75 AXL (0.64) BACE1JAK2JAK3PTK2AXL
SCHEMBL520470 0.74 INSR (0.58) JAK2JAK3PTK2SLC2A1INSR
SCHEMBL519058 0.73 JAK2 (0.73) JAK2PTK2INSRALK
SCHEMBL518789 0.73 INSR (0.58) JAK2JAK3PTK2SLC2A1FLT3

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 BACE1 4411/4885JAK2 1/4885JAK3 6/4885

“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.