SCHEMBL6239907

SCHEMBL6239907

COc1ccc2c3c([nH]c2c1)C(C(=O)O)NCC3

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 17/20 0.82
MAPKAPK5 Q8IW41 1/20 0.82
MAPT P10636 2/20 0.67
KDM4E B2RXH2 1/20 0.67
PSMD14 O00487 1/20 0.67
POLB P06746 1/20 0.67
GAA P10253 1/20 0.67
ALDH1A1 P00352 1/20 0.54
HTR2B P41595 1/20 0.54
ADRA2A P08913 1/20 0.53
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53
HTR7 P34969 1/20 0.53
NISCH Q9Y2I1 1/20 0.53

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
Hydrochloric Acid SCHEMBL6358190 0.99 MAPKAPK2 (0.80) MAPKAPK2MAPKAPK5MAPTKDM4EPSMD14
SCHEMBL6352708 0.90 MAPKAPK2 (1.00) MAPKAPK2MAPKAPK5MAPTALDH1A1HTR2B
SCHEMBL6235224 0.90 MAPKAPK2 (1.00) MAPKAPK2MAPKAPK5MAPTALDH1A1HTR2B
SCHEMBL608164 0.90 MAPKAPK2 (1.00) MAPKAPK2MAPKAPK5MAPTALDH1A1HTR2B
SCHEMBL12660570 0.90 MAPKAPK2 (1.00) MAPKAPK2MAPKAPK5MAPTALDH1A1HTR2B
SCHEMBL6236736 0.82 MAPKAPK2 (0.84) MAPKAPK2MAPKAPK5HTR2B
SCHEMBL3476628 0.81 MAPKAPK2 (0.67) MAPKAPK2MAPKAPK5HTR2B
SCHEMBL1800647 0.81 MAPKAPK2 (0.81) MAPKAPK2MAPKAPK5HTR2B
SCHEMBL29547973 0.81 MAPKAPK2 (0.67) MAPKAPK2MAPKAPK5HTR2B
SCHEMBL29626635 0.81 MAPT (1.00) MAPKAPK2MAPKAPK5MAPTKDM4EPSMD14

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 34/4885MAPT 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.