SCHEMBL6668375

SCHEMBL6668375

COc1ccc(CN2Cc3c(Br)cc(C=O)cc3N(c3c(Cl)cccc3Cl)C2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.43
MAPK14 Q16539 4/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HDAC6 Q9UBN7 1/20 0.37
MAPT P10636 3/20 0.37
TP53 P04637 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 2/20 0.36
HCRTR1 O43613 1/20 0.36
HSD17B3 P37058 1/20 0.35
TAS2R8 Q9NYW2 1/20 0.35
PARK7 Q99497 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CMA1 P23946 1/20 0.35

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
SCHEMBL6670558 0.91 CHRM5 (0.47) CHRM5MAPK14MEN1KMT2AHDAC6
SCHEMBL6668033 0.87 CHRM5 (0.43) CHRM5MAPK14MEN1KMT2AHDAC6
SCHEMBL6669858 0.84 CHRM5 (0.41) CHRM5MAPK14MEN1KMT2AHDAC6
SCHEMBL6643544 0.84 MAPK14 (0.47) CHRM5MAPK14HDAC6ALDH1A1SMN1; SMN2
SCHEMBL6693983 0.79 HDAC6 (0.45) MAPK14HDAC6ALDH1A1SMN1; SMN2
SCHEMBL6669779 0.77 CHRM5 (0.35) CHRM5MAPK14MEN1KMT2A
SCHEMBL6667945 0.77 MAPK14 (0.53) CHRM5MAPK14MEN1KMT2AGAA
SCHEMBL6667226 0.77 MAPK14 (0.51) CHRM5MAPK14MEN1KMT2AGAA
SCHEMBL6668236 0.75 MAPK14 (0.50) CHRM5MAPK14HDAC6
SCHEMBL6644394 0.75 MAPK14 (0.48) CHRM5MAPK14LMNAALDH1A1

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 CHRM5 4865/4885MAPK14 5/4885MEN1 4765/4885

“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.