SCHEMBL6239981

SCHEMBL6239981

O=C(O)C1NCCc2c1[nH]c1ccc(Br)cc21

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 12/20 0.74
MAPKAPK5 Q8IW41 1/20 0.68
SIRT1 Q96EB6 1/20 0.57
HTR2A P28223 6/20 0.54
HTR2C P28335 6/20 0.54
HTR2B P41595 4/20 0.52

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
SCHEMBL29547973 0.90 MAPKAPK2 (0.67) MAPKAPK2MAPKAPK5SIRT1HTR2AHTR2C
SCHEMBL3476628 0.90 MAPKAPK2 (0.67) MAPKAPK2MAPKAPK5SIRT1HTR2AHTR2C
SCHEMBL6240174 0.85 MAPKAPK2 (1.00) MAPKAPK2MAPKAPK5SIRT1HTR2AHTR2C
Hydrochloric Acid SCHEMBL6236292 0.84 MAPKAPK2 (0.97) MAPKAPK2MAPKAPK5HTR2AHTR2C
SCHEMBL6238971 0.84 MAPKAPK2 (0.74) MAPKAPK2MAPKAPK5SIRT1HTR2AHTR2C
SCHEMBL6240455 0.84 MAPKAPK2 (1.00) MAPKAPK2MAPKAPK5SIRT1HTR2AHTR2C
SCHEMBL6245012 0.84 MAPKAPK2 (1.00) MAPKAPK2MAPKAPK5SIRT1HTR2AHTR2C
Hydrochloric Acid SCHEMBL6360792 0.83 MAPKAPK2 (0.73) MAPKAPK2MAPKAPK5SIRT1HTR2AHTR2C
Hydrochloric Acid SCHEMBL6422114 0.83 MAPKAPK2 (0.97) MAPKAPK2MAPKAPK5SIRT1HTR2AHTR2C
SCHEMBL6238342 0.82 MAPKAPK2 (1.00) MAPKAPK2MAPKAPK5SIRT1HTR2AHTR2C

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 3 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
WO-2004113336-A1 CARBOLINE AND BETACARBOLINE DERIVATIVES FOR USE AS HDAC ENZYME INHIBITORS CHROMA THERAPEUTICS LIMITED (GB) 2004-12-29 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 34/4885SIRT1 1037/4885

“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.