SCHEMBL6350928

SCHEMBL6350928

COc1ccc2[nH]c3c(c2c1)CCN(Cc1ccc(C(F)(F)F)cc1)C3C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 7/20 0.70
S1PR1 P21453 2/20 0.50
HDAC1 Q13547 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
MAPKAPK5 Q8IW41 3/20 0.49
SIRT1 Q96EB6 1/20 0.49
ABCG2 Q9UNQ0 2/20 0.47
GSK3B P49841 1/20 0.46
MAPKAPK3 Q16644 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TP53 P04637 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 2/20 0.45

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
Trifluoroacetic Acid SCHEMBL6354236 0.89 MAPKAPK2 (0.70) MAPKAPK2HDAC1HDAC6MAPKAPK5SIRT1
SCHEMBL6241878 0.89 MAPKAPK2 (0.78) MAPKAPK2HDAC1HDAC6MAPKAPK5SIRT1
SCHEMBL6241557 0.83 MAPKAPK2 (1.00) MAPKAPK2MAPKAPK5SIRT1ABCG2MAPKAPK3
Trifluoroacetic Acid SCHEMBL6354123 0.83 MAPKAPK2 (0.87) MAPKAPK2MAPKAPK5SIRT1ABCG2MAPKAPK3
SCHEMBL6274136 0.81 MAPKAPK2 (0.66) MAPKAPK2HDAC1HDAC6MAPKAPK5SIRT1
SCHEMBL6239833 0.79 MAPKAPK2 (0.78) MAPKAPK2MAPKAPK5SIRT1ABCG2MAPKAPK3
SCHEMBL6239272 0.79 MAPKAPK2 (0.80) MAPKAPK2MAPKAPK5SIRT1ABCG2MAPKAPK3
Trifluoroacetic Acid SCHEMBL6358930 0.78 MAPKAPK2 (0.86) MAPKAPK2MAPKAPK5SIRT1ABCG2MAPKAPK3
SCHEMBL1658785 0.77 MAPKAPK2 (1.00) MAPKAPK2MAPKAPK5SIRT1ABCG2MAPKAPK3
SCHEMBL6239882 0.75 MAPKAPK2 (0.74) MAPKAPK2MAPKAPK5SIRT1ABCG2MAPKAPK3

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-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION (US) 2005-06-23 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-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors MAPKAPK2, MAP4K2, MAP3K2 MAPKAPK2 1/4885S1PR1 3013/4885HDAC1 798/4885

“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.