SCHEMBL6353101

SCHEMBL6353101

COc1ccc2[nH]c3c(c2c1)CCN1C(=O)NC(=O)C31

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 5/20 0.57
▸ MAPT P10636 5/20 0.57
▸ MAPKAPK2 P49137 5/20 0.56
▸ ALDH1A1 P00352 2/20 0.52
▸ HTR2B P41595 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ ABCG2 Q9UNQ0 2/20 0.52
▸ MAPKAPK5 Q8IW41 1/20 0.50
▸ SIRT1 Q96EB6 1/20 0.50
▸ KIF11 P52732 1/20 0.47
▸ SIGMAR1 Q99720 2/20 0.47
▸ CHRNB2 P17787 1/20 0.47
▸ CHRNB4 P30926 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ CHRNA3 P32297 1/20 0.47
▸ CHRNA4 P43681 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ TMEM97 Q5BJF2 1/20 0.47
▸ TRPA1 O75762 1/20 0.47
▸ TRPV1 Q8NER1 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
SCHEMBL8041738 0.82 MAPKAPK2 (0.54) TP53MAPTMAPKAPK2ALDH1A1HTR2B
SCHEMBL6350014 0.81 MAPKAPK2 (0.53) TP53MAPTMAPKAPK2ALDH1A1HTR2B
SCHEMBL6358856 0.80 MAPKAPK2 (0.54) TP53MAPTMAPKAPK2ALDH1A1HTR2B
SCHEMBL6237350 0.78 MAPKAPK2 (0.55) TP53MAPTMAPKAPK2ALDH1A1HTR2B
SCHEMBL5612227 0.78 MAPKAPK2 (0.52) TP53MAPTMAPKAPK2ALDH1A1HTR2B
SCHEMBL8039623 0.77 SIRT1 (0.56) TP53MAPTMAPKAPK2ALDH1A1HTR2B
SCHEMBL6238434 0.77 MAPT (0.55) TP53MAPTMAPKAPK2ALDH1A1HTR2B
SCHEMBL14363920 0.77 MAPKAPK2 (0.54) TP53MAPTMAPKAPK2ALDH1A1HTR2B
SCHEMBL7507230 0.77 TP53 (0.52) TP53MAPTMAPKAPK2ALDH1A1HTR2B
SCHEMBL31622909 0.76 SIGMAR1 (0.53) TP53MAPTMAPKAPK2ALDH1A1HTR2B

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 1 patent. 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

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 TP53 2271/4885MAPT 1892/4885MAPKAPK2 1/4885

“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.

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