SCHEMBL519128

SCHEMBL519128

CS(=O)(=O)c1ccc(-c2cc(Br)c3cnc(Nc4ccc(N5CCOCC5)cc4)nn23)cc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.61
JAK3 P52333 13/20 0.61
PTK2 Q05397 11/20 0.61
PTGS2 P35354 1/20 0.52
INSR P06213 1/20 0.51
BRD4 O60885 1/20 0.46
IGF1R P08069 2/20 0.45

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
SCHEMBL519410 0.91 JAK2 (0.61) JAK2JAK3PTK2INSR
SCHEMBL520115 0.90 JAK2 (0.62) JAK2JAK3PTK2PTGS2INSR
SCHEMBL519507 0.83 INSR (0.73) JAK2JAK3PTK2PTGS2INSR
SCHEMBL520952 0.81 JAK2 (0.62) JAK2JAK3PTK2INSRBRD4
SCHEMBL519992 0.78 JAK2 (0.59) JAK2JAK3PTK2INSR
SCHEMBL519658 0.78 ALK (0.68) JAK2JAK3INSR
SCHEMBL519709 0.76 JAK2 (0.65) JAK2JAK3PTK2INSR
SCHEMBL2640574 0.76 JAK2 (1.00) JAK2JAK3PTK2
SCHEMBL519183 0.75 JAK2 (0.72) JAK2JAK3PTK2INSR
SCHEMBL519491 0.75 ALK (0.62) JAK2JAK3PTK2PTGS2INSR

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 9 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
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 1/4885JAK3 6/4885PTK2 592/4885

“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.