SCHEMBL6670174

SCHEMBL6670174

COc1cc(Br)c2c(c1)N(c1c(Cl)cccc1Cl)C(=O)CC2

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.54
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
POLB P06746 1/20 0.40
CHRM5 P08912 1/20 0.38
ALOX5 P09917 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 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
SCHEMBL4068301 0.87 MAPK14 (0.46) MAPK14POLBKMT2AMEN1GAA
SCHEMBL6667920 0.85 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6668342 0.82 MAPK14 (0.73) MAPK14
SCHEMBL4730689 0.82 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11KMT2A
SCHEMBL6669483 0.81 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6666779 0.81 MAPK14 (0.46) MAPK14POLBCHRM5KMT2AMEN1
SCHEMBL6670053 0.80 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6669149 0.79 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6670558 0.76 CHRM5 (0.47) MAPK14CHRM5ALOX5KMT2AMEN1
SCHEMBL4286311 0.74 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11POLB

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 5/4885MAPK13 11/4885MAPK12 30/4885

“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.