Sugi Predict

Sugi Predict / Compounds / SCHEMBL6619656

SCHEMBL6619656

SCHEMBL6619656

CCn1c(-c2ccnc(Oc3ccccc3)n2)c(-c2ccc(F)cc2)c(=O)n1CC

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 16/20 0.60
▸ MAPT P10636 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ MAPK13 O15264 3/20 0.43
▸ MAPK12 P53778 3/20 0.43
▸ MAPK11 Q15759 3/20 0.43
▸ USP2 O75604 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ PDE10A Q9Y233 1/20 0.42

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
SCHEMBL6766908 0.95 MAPK14 (0.53) MAPK14MAPTL3MBTL1MAPK13MAPK12
SCHEMBL6773835 0.92 MAPK14 (0.55) MAPK14MAPTL3MBTL1PDE10A
SCHEMBL6896651 0.90 MAPK14 (0.52) MAPK14MAPTL3MBTL1MAPK13MAPK12
SCHEMBL6621525 0.86 MAPK14 (0.57) MAPK14MAPTL3MBTL1ALDH1A1CYP1A2
SCHEMBL6632918 0.86 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6621384 0.85 MAPK14 (0.56) MAPK14MAPTL3MBTL1ALDH1A1CYP1A2
SCHEMBL6621979 0.85 MAPK14 (0.60) MAPK14MAPTL3MBTL1ALDH1A1CYP1A2
SCHEMBL6766899 0.85 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6766432 0.85 MAPK14 (0.61) MAPK14
SCHEMBL6764212 0.85 MAPK14 (0.56) MAPK14MAPTL3MBTL1MAPK13MAPK12

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 6 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
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 1086/4885MAPT 4523/4885L3MBTL1 3884/4885

“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.