SCHEMBL6866768

SCHEMBL6866768

COc1ccc(CN2Cc3c(-c4ccccc4Cl)cc(C(=O)CN4CCN(C(C)C)CC4)cc3N(c3c(Cl)cccc3Cl)C2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.43
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
CHRM5 P08912 1/20 0.38
TP53 P04637 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
IDH1 O75874 1/20 0.36
SLC7A11 Q9UPY5 1/20 0.36
GAA P10253 2/20 0.35
TSHR P16473 1/20 0.35
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL6668442 0.87 MAPK14 (0.41) MAPK14CHRM5MEN1KMT2AALDH1A1
SCHEMBL6668734 0.85 MAPK14 (0.48) MAPK14CHRM5
SCHEMBL6668236 0.84 MAPK14 (0.50) MAPK14CHRM5
SCHEMBL6647613 0.84 MAPK14 (0.61) MAPK14CHRM5
SCHEMBL6669384 0.83 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11CHRM5
SCHEMBL6865385 0.79 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6667226 0.79 MAPK14 (0.51) MAPK14CHRM5MEN1KMT2AGAA
SCHEMBL6667945 0.79 MAPK14 (0.53) MAPK14CHRM5MEN1KMT2AGAA
SCHEMBL6644394 0.77 MAPK14 (0.48) MAPK14CHRM5ALDH1A1TSHR
SCHEMBL6672647 0.76 MAPK14 (0.48) MAPK14CHRM5MEN1KMT2AGAA

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 3 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
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

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.