SCHEMBL519604

SCHEMBL519604

O=C(NCCN1CCOCC1)c1ccc(-c2ccc3cnc(Nc4ccc(N5CCOCC5)cc4)nn23)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 3/20 0.64
ALK Q9UM73 2/20 0.54
CD274 Q9NZQ7 7/20 0.52
JAK2 O60674 6/20 0.52
JAK3 P52333 3/20 0.50
KIT P10721 1/20 0.49
FLT3 P36888 1/20 0.49
HPGD P15428 1/20 0.49
HPGDS O60760 1/20 0.49
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47
BMPR1B O00238 1/20 0.47
PLK4 O00444 1/20 0.47
CIT O14578 1/20 0.47
GAK O14976 1/20 0.47
OPA1 O60313 1/20 0.47
ROCK2 O75116 1/20 0.47
STK16 O75716 1/20 0.47

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
SCHEMBL518902 0.97 INSR (0.62) INSRALKCD274JAK2JAK3
SCHEMBL519080 0.95 INSR (0.62) INSRALKCD274JAK2JAK3
SCHEMBL519914 0.92 INSR (0.60) INSRALKJAK2JAK3BMPR1B
SCHEMBL519724 0.89 INSR (0.62) INSRALKJAK2JAK3BMPR1B
SCHEMBL519483 0.88 INSR (0.61) INSRALKJAK2JAK3BMPR1B
SCHEMBL518856 0.86 INSR (0.71) INSRALKJAK2JAK3BMPR1B
SCHEMBL519482 0.85 INSR (0.78) INSRALKJAK2JAK3JAK1
SCHEMBL518848 0.83 INSR (0.72) INSRALKJAK2JAK3JAK1
SCHEMBL3210800 0.80 JAK2 (0.62) CD274JAK2JAK3KITFLT3
SCHEMBL520665 0.80 INSR (0.66) INSRALKJAK2JAK3

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 1738/4885ALK 2/4885CD274 597/4885

“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.