SCHEMBL6274136

SCHEMBL6274136

COC(=O)C1c2[nH]c3ccc(OC)cc3c2CCN1Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 6/20 0.66
TP53 P04637 2/20 0.54
MAPT P10636 2/20 0.54
ACHE P22303 2/20 0.52
ABCG2 Q9UNQ0 1/20 0.51
HDAC1 Q13547 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
MAPKAPK5 Q8IW41 1/20 0.50
SIRT1 Q96EB6 1/20 0.50
CFTR P13569 1/20 0.49
KIF11 P52732 2/20 0.49
CHRM4 P08173 1/20 0.47
DRD2 P14416 1/20 0.47
HTR7 P34969 1/20 0.47

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
SCHEMBL6241878 0.92 MAPKAPK2 (0.78) MAPKAPK2TP53MAPTACHEABCG2
Trifluoroacetic Acid SCHEMBL6354236 0.87 MAPKAPK2 (0.70) MAPKAPK2TP53MAPTACHEABCG2
SCHEMBL6237433 0.85 MAPKAPK2 (0.64) MAPKAPK2TP53MAPTABCG2MAPKAPK5
SCHEMBL6350928 0.81 MAPKAPK2 (0.70) MAPKAPK2TP53MAPTABCG2HDAC1
SCHEMBL6236968 0.81 MAPKAPK2 (0.81) MAPKAPK2TP53MAPTABCG2HDAC1
SCHEMBL6238198 0.80 MAPKAPK2 (0.63) MAPKAPK2TP53MAPTACHEHDAC1
SCHEMBL6243057 0.80 MAPKAPK2 (0.65) MAPKAPK2TP53MAPTABCG2MAPKAPK5
SCHEMBL6241557 0.80 MAPKAPK2 (1.00) MAPKAPK2TP53MAPTABCG2MAPKAPK5
SCHEMBL6236811 0.79 MAPKAPK2 (0.64) MAPKAPK2TP53MAPTABCG2HDAC1
SCHEMBL6239833 0.78 MAPKAPK2 (0.78) MAPKAPK2TP53MAPTABCG2MAPKAPK5

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 2 patents. 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
WO-2005009370-A2 BETA-CARBOLINE COMPOUNDS AND ANALOGUES THEREOF AND THEIR USE AS MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITORS PHARMACIA CORPORATION (US) 2005-02-03 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-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors MAPKAPK2, MAP4K2, MAP3K2 MAPKAPK2 1/4885TP53 2271/4885MAPT 1892/4885

“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.