SCHEMBL6764044

SCHEMBL6764044

Cn1c(-c2ccnc(Oc3cccc(F)c3)n2)c(-c2ccc(F)cc2)c(=O)n1C1CCNCC1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.65
BRD4 O60885 4/20 0.55
BRDT Q58F21 3/20 0.55

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
SCHEMBL6768077 0.93 MAPK14 (0.65) MAPK14BRD4BRDT
SCHEMBL6766670 0.93 MAPK14 (0.63) MAPK14BRD4BRDT
SCHEMBL6763893 0.92 MAPK14 (0.62) MAPK14BRD4BRDT
SCHEMBL6767180 0.90 MAPK14 (0.62) MAPK14BRD4BRDT
SCHEMBL6773320 0.88 MAPK14 (0.62) MAPK14BRD4BRDT
Trifluoroacetic Acid SCHEMBL6658756 0.87 MAPK14 (0.57) MAPK14BRD4BRDT
SCHEMBL6773328 0.87 MAPK14 (0.64) MAPK14BRD4BRDT
SCHEMBL6619203 0.86 MAPK14 (0.62) MAPK14BRD4BRDT
SCHEMBL6768364 0.86 MAPK14 (0.63) MAPK14BRD4BRDT
SCHEMBL6763900 0.85 MAPK14 (0.61) MAPK14BRD4BRDT

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 1086/4885BRD4 1592/4885BRDT 4569/4885

“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.