SCHEMBL6668537

SCHEMBL6668537

COc1ccc(CN2Cc3c(-c4ccccc4Cl)cc(S(=O)(=O)N4CCN(CCN(C)C)CC4)cc3N(c3c(Cl)cccc3Cl)C2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
LMNA P02545 3/20 0.43
MAPK1 P28482 2/20 0.43
TSHR P16473 1/20 0.43
POLB P06746 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK14 Q16539 4/20 0.41
CHRM5 P08912 1/20 0.39
PKM P14618 1/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6696781 0.91 MAPK14 (0.39) ALDH1A1LMNAMAPK1TSHRPOLB
SCHEMBL6669384 0.87 MAPK14 (0.43) ALDH1A1LMNAMAPK1TSHRPOLB
SCHEMBL6644394 0.84 MAPK14 (0.48) ALDH1A1LMNAMAPK1TSHRMAPK14
SCHEMBL6666877 0.83 MAPK14 (0.42) ALDH1A1LMNAMAPK1TSHRPOLB
SCHEMBL6642728 0.80 MAPK14 (0.38) ALDH1A1LMNAMAPK1TSHRSMN1; SMN2
SCHEMBL6670125 0.80 MAPK14 (0.42) ALDH1A1LMNAMAPK1TSHRMAPK14
SCHEMBL6866908 0.79 MAPK14 (0.56) MAPK14
SCHEMBL6667945 0.78 MAPK14 (0.53) TSHRMAPK14CHRM5KMT2A
SCHEMBL6667226 0.78 MAPK14 (0.51) TSHRMAPK14CHRM5KMT2A
SCHEMBL6672918 0.78 MAPK14 (0.40) ALDH1A1MAPK14CHRM5

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 ALDH1A1 867/4885LMNA 4160/4885MAPK1 1/4885

“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.