SCHEMBL6237305

SCHEMBL6237305

COC(=O)C1c2[nH]c3ccc(O)cc3c2CCN1C

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 4/20 0.62
HTR2A P28223 5/20 0.49
KIF11 P52732 4/20 0.49
TRPV1 Q8NER1 2/20 0.48
HTR2C P28335 4/20 0.47
SIRT1 Q96EB6 2/20 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
SCHEMBL6236968 0.87 MAPKAPK2 (0.81) MAPKAPK2SIRT1
SCHEMBL1657649 0.87 MAPKAPK2 (0.73) MAPKAPK2HTR2AKIF11TRPV1HTR2C
SCHEMBL6238198 0.82 MAPKAPK2 (0.63) MAPKAPK2
SCHEMBL9686470 0.81 MAPKAPK2 (0.53) MAPKAPK2HTR2A
SCHEMBL1658785 0.77 MAPKAPK2 (1.00) MAPKAPK2SIRT1
SCHEMBL6235510 0.76 MAPKAPK2 (0.81) MAPKAPK2SIRT1
SCHEMBL6243057 0.74 MAPKAPK2 (0.65) MAPKAPK2KIF11SIRT1
SCHEMBL6236811 0.73 MAPKAPK2 (0.64) MAPKAPK2SIRT1
SCHEMBL947568 0.73 TRPV1 (0.49) MAPKAPK2HTR2AKIF11TRPV1HTR2C
SCHEMBL6238355 0.72 MAPKAPK2 (0.64) MAPKAPK2HTR2ATRPV1HTR2CSIRT1

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 1/4885HTR2A 1004/4885KIF11 801/4885

“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.