SCHEMBL521298

SCHEMBL521298

COc1ccc(-c2ccc3cnc(Nc4ccc5nc(CN6CCOCC6)[nH]c5c4)nn23)cn1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.55
PTK2 Q05397 3/20 0.49
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
INSR P06213 3/20 0.44
ALK Q9UM73 4/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KIT P10721 2/20 0.40
SRC P12931 1/20 0.40
FLT3 P36888 2/20 0.39
JAK3 P52333 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
SCHEMBL520944 0.92 JAK2 (0.62) JAK2PTK2INSRALKFLT3
SCHEMBL521346 0.90 JAK2 (0.54) JAK2PTK2INSRALKFLT3
SCHEMBL522142 0.86 JAK2 (0.55) JAK2PTK2INSRALK
SCHEMBL521976 0.86 JAK2 (0.62) JAK2PTK2INSRALK
SCHEMBL520553 0.82 JAK2 (0.63) JAK2PTK2INSRALKJAK3
SCHEMBL521675 0.80 JAK2 (0.56) JAK2PTK2KDM4EINSRALK
SCHEMBL521105 0.79 JAK2 (0.54) JAK2PTK2INSRALKHPGD
SCHEMBL521821 0.79 JAK2 (0.60) JAK2PTK2KDM4EMAPTINSR
SCHEMBL520130 0.78 JAK2 (0.66) JAK2PTK2INSRALKJAK3
SCHEMBL521440 0.78 JAK2 (0.82) JAK2PTK2INSRALKJAK3

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-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

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 592/4885KDM4E 192/4885

“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.