SCHEMBL4045304

SCHEMBL4045304

O=c1c(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccccc3F)n2)n2n1CCC2

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 20/20 0.80
MAPK12 P53778 20/20 0.80
MAPK11 Q15759 20/20 0.80
MAPK14 Q16539 20/20 0.80

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
SCHEMBL4045380 0.90 MAPK13 (0.81) MAPK13MAPK12MAPK11MAPK14
SCHEMBL4047059 0.90 MAPK13 (0.76) MAPK13MAPK12MAPK11MAPK14
SCHEMBL4048233 0.90 MAPK13 (0.74) MAPK13MAPK12MAPK11MAPK14
SCHEMBL4051233 0.89 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14
SCHEMBL4044440 0.88 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14
SCHEMBL4052277 0.88 MAPK13 (0.72) MAPK13MAPK12MAPK11MAPK14
SCHEMBL4050824 0.87 MAPK13 (0.90) MAPK13MAPK12MAPK11MAPK14
SCHEMBL4046519 0.86 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14
SCHEMBL4045582 0.84 MAPK13 (0.81) MAPK13MAPK12MAPK11MAPK14
SCHEMBL4043034 0.83 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539761-B1 6,7-DIHYDRO-5H-PYRAZOLO¬1,2-A PYRAZOL-1-ONES WHICH CONTROL INFLAMMATORY CYTOKINES PROCTER & GAMBLE (US) 2009-04-22 EP disclosed
EP-1539761-A1 6,7-DIHYDRO-5H-PYRAZOLO[1,2-A] PYRAZOL-1-ONES WHICH CONTROL INFLAMMATORY CYTOKINES THE PROCTER & GAMBLE COMPANY (US) 2005-06-15 EP disclosed
US-6849627-B2 Including interleukin-1 and Tumor Necrosis Factor; treating rheumatoid arthritis, osteoarthritis, inflammatory bowel disease, septic shock, cardiopulmonary dysfunction, acute respiratory disease, and cachexia THE PROCTER & GAMBLE COMPANY (US) 2005-02-01 US disclosed
WO-2004026878-A1 6,7-DIHYDRO-5H-PYRAZOLO[1,2-a]PYRAZOL-1-ONES WHICH CONTROL INFLAMMATORY CYTOKINES THE PROCTER & GAMBLE COMPANY (US) 2004-04-01 WO disclosed
US-20040038971-A1 6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines THE PROCTER & GAMBLE COMPANY 2004-02-26 US 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-20040038971-A1 6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-1-ones which control inflammatory cytokines IL1B, IL1A, IL6 MAPK13 2320/4885MAPK12 1929/4885MAPK11 2212/4885

“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.