SCHEMBL6764036

SCHEMBL6764036

Cn1c(=O)c(-c2ccc(F)cc2)c(-c2ccnc(NCc3cccc(F)c3)n2)n1N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.55
MAPK13 O15264 15/20 0.55
MAPK12 P53778 15/20 0.55
MAPK11 Q15759 15/20 0.55
MKNK1 Q9BUB5 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 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
SCHEMBL6767908 0.93 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11MKNK1
SCHEMBL6766809 0.93 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11MKNK1
SCHEMBL6773237 0.92 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11MKNK1
SCHEMBL6766841 0.88 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11MKNK1
SCHEMBL6768759 0.86 MAPK13 (0.51) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6767026 0.85 MAPK13 (0.50) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6764031 0.80 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6767002 0.80 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6768619 0.78 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6773236 0.76 MAPK13 (0.45) 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.