SCHEMBL6668401

SCHEMBL6668401

O=c1ccc2c(-c3ccccc3Cl)nc(C3CCNCC3)cc2n1-c1c(Cl)cccc1Cl

nearest known ligand 0.73

Predicted protein targets (top 4)

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

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
SCHEMBL6866928 0.85 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6867067 0.85 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6666980 0.85 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6667987 0.83 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6688817 0.83 MAPK14 (0.73) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6668790 0.81 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6864223 0.80 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6665813 0.78 MAPK14 (0.87) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6666279 0.77 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6669709 0.77 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11

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.