SCHEMBL6236736

SCHEMBL6236736

COc1cc2[nH]c3c(c2cc1OC)CCNC3C(=O)O

nearest known ligand 0.84

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 13/20 0.84
MAPKAPK5 Q8IW41 1/20 0.70
PRMT5 O14744 1/20 0.49
EGFR P00533 1/20 0.49
HTR2A P28223 4/20 0.48
HTR2C P28335 4/20 0.48
HTR2B P41595 3/20 0.48
SIRT1 Q96EB6 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
Trifluoroacetic Acid SCHEMBL6353929 0.93 MAPKAPK2 (0.74) MAPKAPK2MAPKAPK5PRMT5EGFRHTR2A
SCHEMBL6240868 0.91 MAPKAPK2 (1.00) MAPKAPK2MAPKAPK5PRMT5EGFRHTR2A
SCHEMBL6349579 0.90 MAPKAPK2 (0.70) MAPKAPK2MAPKAPK5PRMT5EGFRHTR2A
SCHEMBL11491192 0.83 MAPKAPK2 (0.66) MAPKAPK2MAPKAPK5HTR2AHTR2CSIRT1
SCHEMBL6239907 0.82 MAPKAPK2 (0.82) MAPKAPK2MAPKAPK5HTR2B
SCHEMBL6352708 0.82 MAPKAPK2 (1.00) MAPKAPK2MAPKAPK5HTR2BSIRT1
SCHEMBL12660570 0.82 MAPKAPK2 (1.00) MAPKAPK2MAPKAPK5HTR2BSIRT1
SCHEMBL6235224 0.82 MAPKAPK2 (1.00) MAPKAPK2MAPKAPK5HTR2BSIRT1
SCHEMBL608164 0.82 MAPKAPK2 (1.00) MAPKAPK2MAPKAPK5HTR2BSIRT1
Hydrochloric Acid SCHEMBL6358190 0.81 MAPKAPK2 (0.80) MAPKAPK2MAPKAPK5HTR2B

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 34/4885PRMT5 1035/4885

“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.