SCHEMBL6670301

SCHEMBL6670301

COc1ccc(CN2Cc3c(-c4ccccc4Cl)cc(NS(=O)(=O)c4cn(C)cn4)cc3N(c3c(Cl)cccc3Cl)C2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.42
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR6 P50406 1/20 0.39
CHRM5 P08912 1/20 0.39
PARP1 P09874 1/20 0.38
PIK3CG P48736 5/20 0.37
TRIM24 O15164 2/20 0.37
MAPK13 O15264 2/20 0.37
MAPK12 P53778 2/20 0.37
MAPK11 Q15759 2/20 0.37
PIK3CD O00329 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6671854 0.83 MAPK14 (0.45) MAPK14CHRM5MAPK13MAPK12MAPK11
SCHEMBL6690867 0.80 MAPK14 (0.41) MAPK14CHRM5MAPK13MAPK12MAPK11
SCHEMBL6667561 0.80 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6644394 0.79 MAPK14 (0.48) MAPK14CHRM5ALDH1A1MAPK1
SCHEMBL6667945 0.78 MAPK14 (0.53) MAPK14MEN1GAAKMT2ACHRM5
SCHEMBL6667226 0.78 MAPK14 (0.51) MAPK14MEN1GAAKMT2ACHRM5
SCHEMBL6667759 0.77 MAPK14 (0.63) MAPK14CHRM5MAPK13MAPK12MAPK11
SCHEMBL6647613 0.76 MAPK14 (0.61) MAPK14CHRM5
SCHEMBL6668236 0.76 MAPK14 (0.50) MAPK14CHRM5
SCHEMBL6671656 0.75 MAPK14 (0.49) MAPK14CHRM5MAPK13MAPK12MAPK11

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-6809199-B2 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES MERCK & CO., INC. 2004-10-26 US disclosed
EP-1345603-A4 (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS MERCK & CO INC (US) 2004-09-08 EP disclosed
EP-1345603-A1 (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS Merck & Co., Inc. (US) 2003-09-24 EP disclosed
WO-2002058695-A9 (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS MERCK & CO INC (US) 2003-09-12 WO disclosed
US-20030092712-A1 (Halo-benzo carbonyl)heterocyclo fused phenyl p38 kinase inhibiting agents MERCK SHARP & DOHME CORP. 2003-05-15 US disclosed
WO-2002058695-A1 (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS MERCK & CO., INC. (US) 2002-08-01 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-20030092712-A1 (Halo-benzo carbonyl)heterocyclo fused phenyl p38 kinase inhibiting agents MAPK1, MAPK7, MAPKAPK2 MAPK14 5/4885MEN1 4765/4885GAA 2794/4885

“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.