SCHEMBL6239283

SCHEMBL6239283

COc1ccc2c(c1)c1c(n2C)C(C(=O)O)NCC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 6/20 0.58
MAPKAPK5 Q8IW41 1/20 0.58
PTGS1 P23219 2/20 0.45
PTGS2 P35354 1/20 0.45
MTNR1A P48039 1/20 0.44
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
AKR1C4 P17516 1/20 0.42
AKR1C1 Q04828 1/20 0.42
SLC6A4 P31645 1/20 0.42
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
DRD5 P21918 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL6234161 0.90 MAPKAPK2 (0.59) MAPKAPK2MAPKAPK5PTGS1PTGS2MTNR1A
Trifluoroacetic Acid SCHEMBL6350855 0.85 MAPKAPK2 (0.53) MAPKAPK2MAPKAPK5PTGS1PTGS2MTNR1A
SCHEMBL16602554 0.83 MAPKAPK2 (0.55) MAPKAPK2MAPKAPK5
SCHEMBL7852873 0.80 MAPKAPK2 (0.42) MAPKAPK2MAPKAPK5PTGS1PTGS2MTNR1A
SCHEMBL17945910 0.76 MAPKAPK2 (0.52) MAPKAPK2MAPKAPK5
SCHEMBL6240818 0.76 MAPKAPK2 (0.56) MAPKAPK2MAPKAPK5PTGS1PTGS2
SCHEMBL6235224 0.74 MAPKAPK2 (1.00) MAPKAPK2MAPKAPK5MAPT
SCHEMBL6352708 0.74 MAPKAPK2 (1.00) MAPKAPK2MAPKAPK5MAPT
SCHEMBL12660570 0.74 MAPKAPK2 (1.00) MAPKAPK2MAPKAPK5MAPT
SCHEMBL608164 0.74 MAPKAPK2 (1.00) MAPKAPK2MAPKAPK5MAPT

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 1/4885MAPKAPK5 34/4885PTGS1 1384/4885

“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.