SCHEMBL6670022

SCHEMBL6670022

COc1ccc(CN2Cc3c(-c4ccccc4Cl)cc(C4CCNC(=O)CC4)cc3N(c3c(Cl)cccc3Cl)C2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.51
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE1C Q14123 1/20 0.40
MAPK13 O15264 2/20 0.39
MAPK12 P53778 2/20 0.39
MAPK11 Q15759 2/20 0.39
CHRM5 P08912 1/20 0.39

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
SCHEMBL6667237 0.91 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11CHRM5
SCHEMBL6670087 0.87 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11CHRM5
SCHEMBL6666883 0.86 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11CHRM5
SCHEMBL6670666 0.84 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11CHRM5
SCHEMBL6670280 0.84 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11CHRM5
SCHEMBL6670483 0.80 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11CHRM5
SCHEMBL6667945 0.80 MAPK14 (0.53) MAPK14CHRM5
SCHEMBL6667226 0.80 MAPK14 (0.51) MAPK14CHRM5
SCHEMBL6668236 0.78 MAPK14 (0.50) MAPK14CHRM5
SCHEMBL6644394 0.78 MAPK14 (0.48) MAPK14CHRM5

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 5/4885PDE1A 2392/4885PDE1B 2496/4885

“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.