SCHEMBL522039

SCHEMBL522039

CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc3cnc(Nc4ccc5nc(C(F)(F)F)[nH]c5c4)nn23)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.61
PTK2 Q05397 5/20 0.54
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
BRD4 O60885 6/20 0.44
ALK Q9UM73 2/20 0.38
BUB1B O60566 1/20 0.38
RET P07949 1/20 0.38
JAK1 P23458 1/20 0.38
BRD2 P25440 1/20 0.38
WEE1 P30291 1/20 0.38
FLT3 P36888 1/20 0.38
JAK3 P52333 1/20 0.38
BRD3 Q15059 1/20 0.38
BRDT Q58F21 1/20 0.38
INSR P06213 1/20 0.38
ACP1 P24666 1/20 0.37

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
SCHEMBL521823 0.94 JAK2 (0.62) JAK2PTK2BRD4ALKBUB1B
SCHEMBL522246 0.89 JAK2 (0.48) JAK2PTK2ALDH1A1LMNASMN1; SMN2
SCHEMBL521586 0.88 JAK2 (0.61) JAK2PTK2BRD4ALKBUB1B
SCHEMBL522078 0.88 JAK2 (0.61) JAK2PTK2BRD4ALKBUB1B
SCHEMBL520747 0.87 JAK2 (0.60) JAK2PTK2BRD4ALKBUB1B
SCHEMBL522215 0.85 JAK2 (0.65) JAK2PTK2BRD4ALKBUB1B
SCHEMBL521169 0.84 JAK2 (0.45) JAK2PTK2ALDH1A1LMNASMN1; SMN2
SCHEMBL521071 0.84 JAK2 (0.66) JAK2PTK2BRD4ALKBUB1B
SCHEMBL520967 0.83 JAK2 (0.65) JAK2PTK2ALDH1A1BRD4ALK
SCHEMBL521382 0.83 JAK2 (0.48) JAK2PTK2ALDH1A1LMNASMN1; SMN2

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 1/4885PTK2 592/4885ALDH1A1 779/4885

“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.