SCHEMBL3528161

SCHEMBL3528161

COc1ccc(S(=O)(=O)n2ncc3cc(-c4cc(C(=O)NC5CC5)cc(F)c4C)ccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.49
CYP2C9 P11712 2/20 0.49
MAPK13 O15264 12/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ABL1 P00519 1/20 0.46

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
SCHEMBL3522897 0.92 MAPK14 (0.49) MAPK14CYP2C9MAPK13ABL1
SCHEMBL3526259 0.92 MAPK14 (0.47) MAPK14CYP2C9MAPK13ABL1
SCHEMBL3522674 0.90 MAPK13 (0.49) MAPK14CYP2C9MAPK13
SCHEMBL3526932 0.90 MAPK13 (0.51) MAPK14CYP2C9MAPK13ABL1
SCHEMBL3523217 0.90 MAPK14 (0.48) MAPK14CYP2C9MAPK13ABL1
SCHEMBL3530169 0.89 MAPK13 (0.51) MAPK14CYP2C9MAPK13
SCHEMBL3524984 0.89 MAPK14 (0.49) MAPK14CYP2C9MAPK13ABL1
SCHEMBL3525793 0.89 MAPK14 (0.49) MAPK14CYP2C9MAPK13ABL1
SCHEMBL3525765 0.88 MAPK14 (0.46) MAPK14CYP2C9MAPK13
SCHEMBL3524410 0.88 MAPK14 (0.50) MAPK14CYP2C9MAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060122221-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthristis SMITHKLINE BEECHAM CORPORATION 2006-06-08 US claimed
US-7642276-B2 Fused heteroaryl derivatives for use as P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-01-05 US disclosed
US-7642276-B2 Fused heteroaryl derivatives for use as P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-01-05 US disclosed
US-7642276-B2 Fused heteroaryl derivatives for use as P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-01-05 US disclosed
EP-1531812-B1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRITIS SMITHKLINE BEECHAM CORP (US) 2007-06-27 EP disclosed
US-20060122221-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthristis SMITHKLINE BEECHAM CORPORATION 2006-06-08 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-20060122221-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthristis MAPK7, CNKSR1, MAPK1 MAPK14 11/4885CYP2C9 2502/4885MAPK13 19/4885

“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.