SCHEMBL522031

SCHEMBL522031

CN1CCN(C)C(c2ccc(Nc3ncc4ccc(-c5cccc(S(=O)(=O)NC(C)(C)C)c5)n4n3)cc2)C1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.74
PTK2 Q05397 6/20 0.67
ALK Q9UM73 4/20 0.47
INSR P06213 2/20 0.47
BRD4 O60885 6/20 0.44
BUB1B O60566 1/20 0.44
RET P07949 1/20 0.44
JAK1 P23458 1/20 0.44
BRD2 P25440 1/20 0.44
WEE1 P30291 1/20 0.44
FLT3 P36888 1/20 0.44
JAK3 P52333 1/20 0.44
BRD3 Q15059 1/20 0.44
BRDT Q58F21 1/20 0.44

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
SCHEMBL520699 0.86 JAK2 (0.68) JAK2PTK2ALKINSRBRD4
SCHEMBL2551617 0.86 JAK2 (0.68) JAK2PTK2ALKINSRBRD4
SCHEMBL519462 0.85 JAK2 (1.00) JAK2PTK2ALKINSRBRD4
SCHEMBL520950 0.83 JAK2 (0.75) JAK2PTK2ALKBRD4JAK1
SCHEMBL519853 0.83 JAK2 (0.89) JAK2PTK2
SCHEMBL522007 0.83 JAK2 (0.78) JAK2PTK2ALKINSRBRD4
SCHEMBL520995 0.82 JAK2 (0.72) JAK2PTK2ALKINSR
SCHEMBL521291 0.82 JAK2 (0.78) JAK2PTK2ALKINSRBRD4
SCHEMBL521065 0.82 JAK2 (0.79) JAK2PTK2
SCHEMBL520210 0.82 JAK2 (0.77) JAK2PTK2ALKINSRBRD4

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 592/4885ALK 2/4885

“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.