SCHEMBL6870099

SCHEMBL6870099

CC(C)(C)N1CCC(Cc2cc3c(ccc(=O)n3-c3c(Cl)cccc3Cl)c(-c3ccccc3Cl)n2)CC1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.73
MAPK11 Q15759 8/20 0.56
MAPK13 O15264 7/20 0.56
MAPK12 P53778 7/20 0.56

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
SCHEMBL6703607 0.91 MAPK14 (0.75) MAPK14MAPK11MAPK13MAPK12
SCHEMBL6666980 0.85 MAPK14 (1.00) MAPK14MAPK11MAPK13MAPK12
SCHEMBL6694827 0.82 MAPK14 (0.73) MAPK14MAPK11MAPK13MAPK12
SCHEMBL6864304 0.79 MAPK14 (0.68) MAPK14MAPK11MAPK13MAPK12
SCHEMBL6665813 0.78 MAPK14 (0.87) MAPK14MAPK11MAPK13MAPK12
SCHEMBL6866863 0.75 MAPK14 (0.68) MAPK14MAPK11MAPK13MAPK12
Hydrochloric Acid SCHEMBL6672197 0.75 MAPK14 (0.67) MAPK14MAPK11MAPK13MAPK12
SCHEMBL16573728 0.74 MAPK14 (1.00) MAPK14MAPK11MAPK13MAPK12
SCHEMBL6666279 0.72 MAPK14 (0.59) MAPK14MAPK11MAPK13MAPK12
SCHEMBL6669709 0.72 MAPK14 (0.65) MAPK14MAPK11MAPK13MAPK12

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-6809199-B2 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES MERCK & CO., INC. 2004-10-26 US disclosed
US-20030092712-A1 (Halo-benzo carbonyl)heterocyclo fused phenyl p38 kinase inhibiting agents MERCK SHARP & DOHME CORP. 2003-05-15 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-20030092712-A1 (Halo-benzo carbonyl)heterocyclo fused phenyl p38 kinase inhibiting agents MAPK1, MAPK7, MAPKAPK2 MAPK14 5/4885MAPK11 8/4885MAPK13 11/4885

“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.