SCHEMBL3889455

SCHEMBL3889455

CC(Nc1nccc(-c2c(Cc3ccc(F)cc3)c(=O)n3n2CCC3)n1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.73
MAPK13 O15264 15/20 0.73
MAPK12 P53778 14/20 0.73
MAPK11 Q15759 14/20 0.73
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49
LCK P06239 1/20 0.49
LYN P07948 1/20 0.49
MAPK1 P28482 1/20 0.49
AKT2 P31751 1/20 0.49
FLT4 P35916 1/20 0.49
FLT3 P36888 1/20 0.49
FRK P42685 1/20 0.49
MAPK8 P45983 1/20 0.49
MAPK9 P45984 1/20 0.49
CSNK1A1 P48729 1/20 0.49
CSNK1D P48730 1/20 0.49
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
CSNK1G2 P78368 1/20 0.49

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
SCHEMBL3889452 1.00 MAPK14 (0.73) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL3879233 0.85 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11LCK
SCHEMBL3879239 0.85 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11LCK
SCHEMBL4857955 0.85 MAPK13 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4849225 0.85 MAPK13 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4849231 0.85 MAPK13 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL3877913 0.84 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11LCK
SCHEMBL3877916 0.84 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11LCK
SCHEMBL3878621 0.84 MAPK13 (0.73) MAPK14MAPK13MAPK12MAPK11
SCHEMBL3878617 0.84 MAPK13 (0.73) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113392-A1 Bicyclic pyrazolone cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2005-05-26 US claimed
US-20090069355-A1 Bicyclic pyrazolone cytokine inhibitors CLARK MICHAEL PHILIP 2009-03-12 US disclosed
US-7482356-B2 Bicyclic pyrazolone cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2009-01-27 US disclosed
US-20050113392-A1 Bicyclic pyrazolone cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2005-05-26 US 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 (2 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-20050113392-A1 Bicyclic pyrazolone cytokine inhibitors IL1B, IL1A, IL1RN MAPK14 922/4885MAPK13 2033/4885MAPK12 2453/4885
US-20090069355-A1 Bicyclic pyrazolone cytokine inhibitors IL1B, IL1A, IL1RN MAPK14 922/4885MAPK13 2033/4885MAPK12 2453/4885

“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.