SCHEMBL6768641

SCHEMBL6768641

CC(=O)N1CCC(n2c(-c3ccnc(N(C)c4ccccc4)n3)c(-c3ccc(F)cc3)c(=O)n2C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
CDK2 P24941 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CSNK1G2 P78368 1/20 0.39
TAOK1 Q7L7X3 1/20 0.39
MINK1 Q8N4C8 1/20 0.39
PRKD2 Q9BZL6 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
CSNK1G1 Q9HCP0 1/20 0.39
CSNK1G3 Q9Y6M4 1/20 0.39
MAPK14 Q16539 18/20 0.39

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
SCHEMBL6766904 0.96 PRKD3 (0.41) ACACBACACAPRKD3MAP4K4CDK2
SCHEMBL6767746 0.93 MAP4K4 (0.38) ACACBACACAPRKD3MAP4K4CDK2
SCHEMBL6768726 0.92 MAP4K4 (0.40) ACACBACACAPRKD3MAP4K4CDK2
SCHEMBL6768287 0.91 MAPK14 (0.37) ACACBACACAPRKD3MAP4K4CDK2
SCHEMBL6763931 0.91 PRKD3 (0.38) ACACBACACAPRKD3MAP4K4CDK2
SCHEMBL6766294 0.89 MAPK14 (0.38) ACACBACACAPRKD3MAP4K4CDK2
SCHEMBL6766739 0.87 MAPK14 (0.42) PRKD3MAP4K4MAPK1MAPK9CSNK1A1
SCHEMBL6763950 0.82 MAPK14 (0.42) PRKD3MAP4K4MAPK1MAPK9CSNK1A1
SCHEMBL6768614 0.80 MAPK14 (0.44) PRKD3MAP4K4MAPK1MAPK9CSNK1A1
SCHEMBL6769364 0.79 MAPK14 (0.43) PRKD3MAP4K4MAPK1MAPK9CSNK1A1

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 ACACB 2570/4885ACACA 1433/4885PRKD3 1836/4885

“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.