SCHEMBL522465

SCHEMBL522465

Cn1ncc2cc(Nc3ncc4ccc(-c5cccc(S(=O)(=O)NC(C)(C)C)c5)n4n3)ccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.67
PTK2 Q05397 4/20 0.57
BRD4 O60885 9/20 0.42
ALK Q9UM73 4/20 0.42
RET P07949 2/20 0.42
JAK1 P23458 2/20 0.42
WEE1 P30291 2/20 0.42
FLT3 P36888 2/20 0.42
JAK3 P52333 2/20 0.42
BRDT Q58F21 2/20 0.42
BUB1B O60566 1/20 0.42
BRD2 P25440 1/20 0.42
BRD3 Q15059 1/20 0.42
INSR P06213 3/20 0.41
SYK P43405 2/20 0.40
BMPR1B O00238 1/20 0.39
PLK4 O00444 1/20 0.39
STK25 O00506 1/20 0.39
CIT O14578 1/20 0.39
RIOK3 O14730 1/20 0.39

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
SCHEMBL521581 0.93 JAK2 (0.67) JAK2PTK2BRD4ALKRET
SCHEMBL2512507 0.88 JAK2 (0.51) JAK2PTK2ALKJAK1JAK3
SCHEMBL521097 0.85 JAK2 (0.63) JAK2PTK2BRD4ALKRET
SCHEMBL522195 0.85 JAK2 (0.67) JAK2PTK2BRD4ALKRET
SCHEMBL521843 0.84 JAK2 (0.65) JAK2PTK2BRD4ALKRET
SCHEMBL520031 0.84 JAK2 (0.69) JAK2PTK2BRD4ALKRET
SCHEMBL520071 0.84 JAK2 (0.74) JAK2PTK2BRD4ALKRET
SCHEMBL521484 0.84 JAK2 (0.65) JAK2PTK2BRD4ALKRET
SCHEMBL520001 0.84 JAK2 (0.67) JAK2PTK2BRD4ALKRET
SCHEMBL522000 0.83 JAK2 (0.49) JAK2PTK2ALKJAK1JAK3

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 8 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-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 1/4885PTK2 592/4885BRD4 23/4885

“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.