SCHEMBL6768644

SCHEMBL6768644

Cn1c(-c2ccnc(Oc3ccccc3)n2)c(-c2ccc(F)cc2)c(=O)n1N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.56
MAPK13 O15264 7/20 0.43
MAPK12 P53778 7/20 0.43
MAPK11 Q15759 7/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BRD4 O60885 1/20 0.41
BRDT Q58F21 1/20 0.41
PDE10A Q9Y233 1/20 0.40

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
SCHEMBL6767752 0.95 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL6773099 0.94 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL6766624 0.92 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11BRD4
SCHEMBL6766471 0.91 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11BRD4
SCHEMBL6764212 0.91 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL6763885 0.89 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL6632918 0.88 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6767002 0.86 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11PDE10A
SCHEMBL6632387 0.86 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL6621979 0.85 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11MEN1

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.