SCHEMBL6358856

SCHEMBL6358856

COc1ccc2[nH]c3c(c2c1)CCN1CCNC(=O)C31

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 5/20 0.54
▸ MAPT P10636 5/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ HTR2B P41595 1/20 0.53
▸ TP53 P04637 4/20 0.52
▸ MAPKAPK5 Q8IW41 1/20 0.51
▸ SIGMAR1 Q99720 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ MTNR1A P48039 1/20 0.50
▸ MTNR1B P49286 1/20 0.50
▸ CHRNB2 P17787 1/20 0.50
▸ CHRNB4 P30926 1/20 0.50
▸ SLC6A4 P31645 1/20 0.50
▸ CHRNA3 P32297 1/20 0.50
▸ CHRNA4 P43681 1/20 0.50
▸ KCNH2 Q12809 1/20 0.50
▸ TMEM97 Q5BJF2 1/20 0.50
▸ SIRT1 Q96EB6 1/20 0.48
▸ PARP1 P09874 1/20 0.48

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
SCHEMBL6238434 0.80 MAPT (0.55) MAPKAPK2MAPTALDH1A1HTR2BTP53
SCHEMBL6353101 0.80 TP53 (0.57) MAPKAPK2MAPTALDH1A1HTR2BTP53
SCHEMBL6350014 0.77 MAPKAPK2 (0.53) MAPKAPK2MAPTALDH1A1HTR2BTP53
SCHEMBL30363250 0.74 MAPKAPK2 (0.56) MAPKAPK2MAPTALDH1A1HTR2BTP53
SCHEMBL30363189 0.74 MAPKAPK2 (0.56) MAPKAPK2MAPTALDH1A1HTR2BTP53
SCHEMBL6237350 0.74 MAPKAPK2 (0.55) MAPKAPK2MAPTALDH1A1HTR2BTP53
SCHEMBL11366753 0.74 MAPKAPK2 (0.55) MAPKAPK2MAPTALDH1A1HTR2BTP53
SCHEMBL30363161 0.74 MAPKAPK2 (0.55) MAPKAPK2MAPTALDH1A1HTR2BTP53
SCHEMBL30363083 0.74 MAPKAPK2 (0.55) MAPKAPK2MAPTALDH1A1HTR2BTP53
SCHEMBL31291699 0.72 SLC6A4 (0.73) MAPKAPK2MAPTALDH1A1HTR2BTP53

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 MAPKAPK2 1/4885MAPT 1892/4885ALDH1A1 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.

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