SCHEMBL3228989

SCHEMBL3228989

[O-][n+]1cn(CCCO)c(-c2ccnc(F)c2)c1-c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 3/20 0.46
MAP4K4 O95819 2/20 0.46
MAPK9 P45984 2/20 0.46
CSNK1A1 P48729 2/20 0.46
MAP4K5 Q9Y4K4 2/20 0.46
CDC42BPA Q5VT25 1/20 0.46
AURKB Q96GD4 1/20 0.46
MAPK14 Q16539 12/20 0.38
CSNK1E P49674 1/20 0.35
MAPK13 O15264 7/20 0.34
MAPK12 P53778 7/20 0.34
MAPK11 Q15759 7/20 0.34
TGFBR1 P36897 3/20 0.34
TGFBR2 P37173 2/20 0.34
RIPK3 Q9Y572 1/20 0.34
PRKD3 O94806 1/20 0.33
FRK P42685 1/20 0.33
GSK3B P49841 1/20 0.33
PRKD2 Q9BZL6 1/20 0.33

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
SCHEMBL3235749 0.93 CSNK1D (0.38) CSNK1DMAP4K4MAPK9CSNK1A1MAP4K5
SCHEMBL2848948 0.83 CSNK1D (0.39) CSNK1DMAPK14CSNK1E
SCHEMBL3230997 0.70 MAPK14 (0.42) CSNK1DMAP4K4MAPK9CSNK1A1MAP4K5
SCHEMBL3228998 0.67 CSNK1D (0.40) CSNK1DMAP4K4MAPK9CSNK1A1MAP4K5
SCHEMBL5091901 0.66 MAPK14 (0.52) CSNK1DMAP4K4MAPK9CSNK1A1MAP4K5
SCHEMBL3233018 0.64 MAPK14 (0.43) CSNK1DMAPK14CSNK1EMAPK13MAPK12
SCHEMBL5452499 0.64 CSNK1D (0.60) CSNK1DMAP4K4MAPK9CSNK1A1MAP4K5
SCHEMBL5850112 0.63 MAP4K4 (0.64) CSNK1DMAP4K4MAPK9CSNK1A1MAP4K5
SCHEMBL3235753 0.61 MAPK14 (0.35) CSNK1DMAP4K4MAPK9CSNK1A1MAP4K5
SCHEMBL2849352 0.59 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11GSK3B

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-20100069436-A1 IMIDAZOLE COMPOUNDS HAVING AN ANTIINFLAMMATORY EFFECT Merckle (DE) 2010-03-18 US disclosed
EP-2054404-A1 IMIDAZOLE COMPOUNDS HAVING AN ANTIINFLAMMATORY EFFECT MERCKLE GMBH (DE) 2009-05-06 EP disclosed
EP-1894925-A1 Imidazole compounds having an antiinflammatory effect MERCKLE GMBH (DE) 2008-03-05 EP disclosed
WO-2008023066-A1 IMIDAZOLE COMPOUNDS HAVING AN ANTIINFLAMMATORY EFFECT MERCKLE GMBH (DE) 2008-02-28 WO 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 (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-20100069436-A1 IMIDAZOLE COMPOUNDS HAVING AN ANTIINFLAMMATORY EFFECT MIF, TNF, IL1B CSNK1D 2157/4885MAP4K4 1494/4885MAPK9 2573/4885

“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.