SCHEMBL519880

SCHEMBL519880

CC[S+]([O-])c1ncc2ccc(-c3ccc(S(C)(=O)=O)cc3)n2n1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.42
PTK2 Q05397 2/20 0.42
KCNH2 Q12809 4/20 0.38
IDO1 P14902 1/20 0.37
JAK3 P52333 1/20 0.37
PTGS2 P35354 4/20 0.36
MAOB P27338 1/20 0.36
PTGS1 P23219 1/20 0.35
FYN P06241 1/20 0.35
TNF P01375 1/20 0.35

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
SCHEMBL519725 0.86 JAK2 (0.42) JAK2PTK2KCNH2IDO1JAK3
SCHEMBL519867 0.77 JAK2 (0.46) JAK2PTK2KCNH2IDO1JAK3
SCHEMBL520457 0.77 IDO1 (0.47) JAK2PTK2KCNH2IDO1JAK3
SCHEMBL520267 0.75 JAK2 (0.42) JAK2PTK2KCNH2IDO1JAK3
SCHEMBL521079 0.75 JAK2 (0.45) JAK2PTK2KCNH2IDO1JAK3
SCHEMBL520240 0.74 KCNH2 (0.48) JAK2PTK2KCNH2JAK3FYN
SCHEMBL520412 0.72 CDK1 (0.41) JAK2PTK2KCNH2PTGS2MAOB
SCHEMBL526558 0.69 JAK2 (0.32) JAK2PTK2
SCHEMBL520662 0.69 INSR (0.44) JAK2PTK2FYN
SCHEMBL519735 0.67 KCNH2 (0.40) KCNH2IDO1PTGS2PTGS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 592/4885KCNH2 389/4885

“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.