SCHEMBL520341

SCHEMBL520341

CSc1ncc2c(C)cc(-c3ccc(S(C)(=O)=O)cc3)n2n1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.41
PTGS2 P35354 4/20 0.39
PTGS1 P23219 1/20 0.38
ALOX5 P09917 1/20 0.38
CYP2C9 P11712 1/20 0.38
IDO1 P14902 1/20 0.38

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
SCHEMBL520651 0.87 PTGS2 (0.40) KCNH2PTGS2PTGS1IDO1
SCHEMBL519735 0.80 KCNH2 (0.40) KCNH2PTGS2PTGS1ALOX5CYP2C9
SCHEMBL521079 0.79 JAK2 (0.45) KCNH2PTGS2IDO1
SCHEMBL19222025 0.71 CKS1B (0.31)
SCHEMBL520115 0.69 JAK2 (0.62) PTGS2
SCHEMBL520952 0.69 JAK2 (0.62)
SCHEMBL520225 0.68 KDM4E (0.49)
SCHEMBL520183 0.67 PTGS2 (0.40) KCNH2PTGS2PTGS1IDO1
SCHEMBL25327280 0.66 NR1I2 (0.33)
SCHEMBL19221955 0.66 PTGS2 (0.43) PTGS2PTGS1CYP2C9

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 KCNH2 389/4885PTGS2 1462/4885PTGS1 1200/4885

“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.