SCHEMBL6696147

SCHEMBL6696147

CSc1nccc(-c2c(-c3ccc(F)cc3)c(=O)n(C3CCN(C(=O)OC(C)(C)C)CC3)n2C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.43
MAPK13 O15264 5/20 0.39
MAPK12 P53778 5/20 0.39
MAPK11 Q15759 5/20 0.39
GPR119 Q8TDV5 2/20 0.38
GRIA1 P42261 1/20 0.38
ENPP2 Q13822 1/20 0.38
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
PTK2 Q05397 1/20 0.37
MMP13 P45452 1/20 0.37
SYK P43405 1/20 0.37
SQOR Q9Y6N5 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CSNK1E P49674 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
TNK2 Q07912 1/20 0.36
MEN1 O00255 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
SCHEMBL6620033 0.94 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11GPR119
SCHEMBL6690362 0.87 GPR119 (0.45) MAPK14MAPK13MAPK12MAPK11GPR119
SCHEMBL6680026 0.82 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6881409 0.81 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11
SCHEMBL22712334 0.81 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11GPR119
SCHEMBL6660862 0.80 GPR119 (0.43) MAPK14MAPK13MAPK12MAPK11GPR119
SCHEMBL6663704 0.79 MAPK14 (0.47) MAPK14
SCHEMBL6766405 0.76 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6633912 0.76 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6677389 0.76 MAPK14 (0.57) 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 4 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 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.