SCHEMBL6764031

SCHEMBL6764031

CN(c1cccc(F)c1)c1nccc(-c2c(-c3ccc(F)cc3)c(=O)n(C)n2N2CCOCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.41
MAPK13 O15264 17/20 0.41
MAPK12 P53778 17/20 0.41
MAPK11 Q15759 17/20 0.41
ATR Q13535 1/20 0.37
ATRIP Q8WXE1 1/20 0.37
TGFBR1 P36897 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
SCHEMBL6767905 0.93 MAPK13 (0.40) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6766805 0.92 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6773236 0.91 MAPK13 (0.45) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6766839 0.87 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6768754 0.86 MAPK13 (0.42) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6767021 0.84 MAPK13 (0.41) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6767002 0.83 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6764036 0.80 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6763885 0.79 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6773099 0.79 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11

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.