SCHEMBL6766829

SCHEMBL6766829

CCn1c(=O)c(-c2ccc(F)cc2)c(-c2ccnc(Oc3ccc(F)cc3)n2)n1N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.49
MAPK13 O15264 4/20 0.42
MAPK12 P53778 4/20 0.42
MAPK11 Q15759 4/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BRD4 O60885 1/20 0.40
BRDT Q58F21 1/20 0.40

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
SCHEMBL6632918 0.96 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6632387 0.94 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL6766438 0.92 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6768669 0.90 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11BRDT
SCHEMBL6764212 0.90 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL6763885 0.88 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL6767752 0.87 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL6768636 0.87 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6766908 0.85 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL6763957 0.85 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11BRDT

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-6677337-B2 RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, INFLAMMATORY BOWEL DISEASE, CACHEXIA, SEPTIC SHOCK, CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS THE PROCTER & GAMBLE COMPANY 2004-01-13 US claimed
US-20030225082-A1 1,2-dihydropyrazol-3-ones which controls inflammatory cytokines PROCTER & GAMBLE COMPANY, THE 2003-12-04 US claimed

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-20030225082-A1 1,2-dihydropyrazol-3-ones which controls inflammatory cytokines IL1B, IL1A, IL1R1 MAPK14 1086/4885MAPK13 1053/4885MAPK12 997/4885

“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.