SCHEMBL5768644

SCHEMBL5768644

CC(Nc1nccc(-c2[nH]c(C3(C(N)=O)OCC(C)(C(=O)OCC#N)CO3)nc2-c2ccc(F)cc2)n1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.51
MAPK13 O15264 5/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
LCK P06239 1/20 0.40
LYN P07948 1/20 0.40
MAPK1 P28482 1/20 0.40
AKT2 P31751 1/20 0.40
FLT4 P35916 1/20 0.40
FLT3 P36888 1/20 0.40
FRK P42685 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CSNK1G2 P78368 1/20 0.40
MAP4K2 Q12851 1/20 0.40
DYRK1A Q13627 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
SCHEMBL5772901 0.94 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5769857 0.90 MAPK14 (0.51) MAPK14MAPK13PRKD3MAP4K4LCK
SCHEMBL5773988 0.90 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5769478 0.90 MAPK14 (0.53) MAPK14MAPK13PRKD3MAP4K4LCK
SCHEMBL5770321 0.89 MAPK14 (0.46) MAPK14MAPK13MAPK9MAPK12MAPK11
SCHEMBL5771199 0.89 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5773807 0.88 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770611 0.88 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770863 0.87 MAPK14 (0.44) MAPK14MAPK13MAPK9MAPK12MAPK11
SCHEMBL5772573 0.87 MAPK14 (0.55) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0988301-B1 IMIDAZOLYL-CYCLIC ACETALS AVENTIS PHARMA LTD (GB) 2006-08-09 EP disclosed
US-6989395-B2 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2006-01-24 US disclosed
US-20040038991-A1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2004-02-26 US disclosed
US-6602877-B1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2003-08-05 US disclosed
EP-0988301-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 2000-03-29 EP disclosed
WO-1998056788-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 1998-12-17 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-20040038991-A1 Imidazolyl-cyclic acetals CBR1, LBR, CBR3 MAPK14 1915/4885MAPK13 1610/4885PRKD3 3248/4885

“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.