SCHEMBL6766904

SCHEMBL6766904

CC(=O)N1CCC(n2c(-c3ccnc(N(C)c4ccc(F)cc4)n3)c(-c3ccc(F)cc3)c(=O)n2C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
CDK2 P24941 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CSNK1D P48730 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
CSNK1G2 P78368 1/20 0.41
TAOK1 Q7L7X3 1/20 0.41
MINK1 Q8N4C8 1/20 0.41
PRKD2 Q9BZL6 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
CSNK1G1 Q9HCP0 1/20 0.41
CSNK1G3 Q9Y6M4 1/20 0.41
MAPK14 Q16539 17/20 0.39
MAPK11 Q15759 14/20 0.39
MAPK13 O15264 13/20 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
SCHEMBL6768726 0.96 MAP4K4 (0.40) PRKD3MAP4K4CDK2MAPK1MAPK8
SCHEMBL6768641 0.96 ACACB (0.39) PRKD3MAP4K4CDK2MAPK1MAPK8
SCHEMBL6767746 0.92 MAP4K4 (0.38) PRKD3MAP4K4CDK2MAPK1MAPK8
SCHEMBL6768287 0.90 MAPK14 (0.37) PRKD3MAP4K4CDK2MAPK1MAPK8
SCHEMBL6763931 0.90 PRKD3 (0.38) PRKD3MAP4K4CDK2MAPK1MAPK8
SCHEMBL6766294 0.88 MAPK14 (0.38) PRKD3MAP4K4CDK2MAPK1MAPK8
SCHEMBL6763950 0.86 MAPK14 (0.42) PRKD3MAP4K4MAPK1MAPK9CSNK1A1
SCHEMBL6769364 0.82 MAPK14 (0.43) PRKD3MAP4K4MAPK1MAPK9CSNK1A1
SCHEMBL6766739 0.82 MAPK14 (0.42) PRKD3MAP4K4MAPK1MAPK9CSNK1A1
SCHEMBL6768196 0.80 MAPK14 (0.61) PRKD3MAP4K4CDK2MAPK1MAPK8

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 PRKD3 1836/4885MAP4K4 2666/4885CDK2 1129/4885

“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.