SCHEMBL6809563

SCHEMBL6809563

O=C(O)C1COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NCc4ccco4)n3)[nH]2)OC1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.69
MAPK13 O15264 8/20 0.69
MAPK12 P53778 8/20 0.69
MAPK11 Q15759 8/20 0.69
GSK3B P49841 1/20 0.39
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL6808766 0.89 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5772211 0.89 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7221075 0.88 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5769609 0.87 MAPK14 (0.82) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770750 0.87 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6809882 0.86 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5771335 0.85 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11TSHR
SCHEMBL5769916 0.85 MAPK14 (0.81) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6075400 0.85 MAPK14 (0.80) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5767291 0.85 MAPK14 (0.76) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040038991-A1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2004-02-26 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 (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 1610/4885MAPK12 2766/4885

“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.