SCHEMBL521538

SCHEMBL521538

CS(=O)(=O)Nc1ccncc1Br

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 19/20 0.60
PTGS2 P35354 16/20 0.60
SLC22A12 Q96S37 1/20 0.50

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
SCHEMBL14960632 0.76 PTGS1 (0.67) PTGS1PTGS2
SCHEMBL17258767 0.75 PTGS1 (0.55) PTGS1PTGS2SLC22A12
SCHEMBL28448365 0.75 SLC22A12 (0.76) PTGS1PTGS2SLC22A12
SCHEMBL14627251 0.75 PTGS1 (0.53) PTGS1PTGS2SLC22A12
SCHEMBL5806458 0.74 PTGS1 (0.55) PTGS1PTGS2
SCHEMBL19788231 0.74 PTGS1 (0.55) PTGS1PTGS2
SCHEMBL6871548 0.74
SCHEMBL6012692 0.74 PTGS1 (0.55) PTGS1PTGS2SLC22A12
SCHEMBL21048790 0.74 SLC22A12 (0.63) PTGS1PTGS2SLC22A12
SCHEMBL12320185 0.73 PTGS1 (0.68) PTGS1PTGS2

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 5 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 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 PTGS1 1200/4885PTGS2 1462/4885SLC22A12 1897/4885

“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.