SCHEMBL6622017

SCHEMBL6622017

CC(Nc1nccc(-c2c(-c3ccc(F)cc3)c(=O)n(C)n2C)n1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.73
MAPK13 O15264 9/20 0.73
MAPK12 P53778 8/20 0.73
MAPK11 Q15759 8/20 0.73
PRKD3 O94806 1/20 0.58
MAP4K4 O95819 1/20 0.58
LCK P06239 1/20 0.58
LYN P07948 1/20 0.58
MAPK1 P28482 1/20 0.58
AKT2 P31751 1/20 0.58
FLT4 P35916 1/20 0.58
FLT3 P36888 1/20 0.58
FRK P42685 1/20 0.58
MAPK8 P45983 1/20 0.58
MAPK9 P45984 1/20 0.58
CSNK1A1 P48729 1/20 0.58
CSNK1D P48730 1/20 0.58
GSK3A P49840 1/20 0.58
GSK3B P49841 1/20 0.58
CSNK1G2 P78368 1/20 0.58

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
SCHEMBL6622012 1.00 MAPK14 (0.73) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL6620765 0.95 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL6620767 0.95 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL6624106 0.90 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6636545 0.86 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL6622893 0.86 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL6622898 0.86 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL6636543 0.86 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL6619645 0.85 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL6619647 0.85 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11PRKD3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1485167-A1 1,2-DIHYDROPYRAZOL-3-ONES AS CYTOKINE MEDIATORS The Procter & Gamble Company (US) 2004-12-15 EP claimed
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
WO-2003080184-A1 1,2-DIHYDROPYRAZOL-3-ONES AS CYTOKINE MEDIATORS THE PROCTER & GAMBLE COMPANY (US) 2003-10-02 WO claimed
EP-1485167-A1 1,2-DIHYDROPYRAZOL-3-ONES AS CYTOKINE MEDIATORS The Procter & Gamble Company (US) 2004-12-15 EP disclosed
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 disclosed
US-20030225082-A1 1,2-dihydropyrazol-3-ones which controls inflammatory cytokines PROCTER & GAMBLE COMPANY, THE 2003-12-04 US disclosed
WO-2003080184-A1 1,2-DIHYDROPYRAZOL-3-ONES AS CYTOKINE MEDIATORS THE PROCTER & GAMBLE COMPANY (US) 2003-10-02 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-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.