SCHEMBL6235224

SCHEMBL6235224

COc1ccc2[nH]c3c(c2c1)CCN[C@H]3C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 18/20 1.00
MAPKAPK5 Q8IW41 1/20 1.00
ALDH1A1 P00352 1/20 0.67
MAPT P10636 1/20 0.67
HTR2B P41595 1/20 0.67
SIRT1 Q96EB6 1/20 0.64

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
SCHEMBL608164 1.00 MAPKAPK2 (1.00) MAPKAPK2MAPKAPK5ALDH1A1MAPTHTR2B
SCHEMBL12660570 1.00 MAPKAPK2 (1.00) MAPKAPK2MAPKAPK5ALDH1A1MAPTHTR2B
SCHEMBL6352708 1.00 MAPKAPK2 (1.00) MAPKAPK2MAPKAPK5ALDH1A1MAPTHTR2B
SCHEMBL6239907 0.90 MAPKAPK2 (0.82) MAPKAPK2MAPKAPK5ALDH1A1MAPTHTR2B
SCHEMBL1491372 0.89 MAPKAPK2 (1.00) MAPKAPK2MAPKAPK5ALDH1A1MAPTHTR2B
SCHEMBL6239836 0.89 MAPKAPK2 (0.80) MAPKAPK2MAPKAPK5ALDH1A1MAPTHTR2B
Hydrochloric Acid SCHEMBL6358190 0.89 MAPKAPK2 (0.80) MAPKAPK2MAPKAPK5ALDH1A1MAPTHTR2B
Hydrochloric Acid SCHEMBL6352215 0.88 MAPKAPK2 (0.98) MAPKAPK2MAPKAPK5ALDH1A1MAPTHTR2B
SCHEMBL6241595 0.88 MAPKAPK2 (0.79) MAPKAPK2MAPKAPK5ALDH1A1MAPTHTR2B
SCHEMBL6241157 0.87 MAPKAPK2 (1.00) MAPKAPK2MAPKAPK5ALDH1A1MAPTHTR2B

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 34/4885ALDH1A1 4386/4885

“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.