SCHEMBL6237686

SCHEMBL6237686

COc1ccc2[nH]c3c(c2c1)CCNC3CC(=O)O

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.76
MAPKAPK2 P49137 3/20 0.70
MAPKAPK5 Q8IW41 1/20 0.70
S1PR1 P21453 11/20 0.68
CHRM4 P08173 2/20 0.65
DRD2 P14416 2/20 0.65
HTR7 P34969 2/20 0.65
ALDH1A1 P00352 1/20 0.63
MAPT P10636 1/20 0.63
HTR2B P41595 1/20 0.63
SIRT1 Q96EB6 1/20 0.57
HTR2A P28223 1/20 0.57
HTR2C P28335 1/20 0.57

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
Hydrochloric Acid SCHEMBL6350788 0.99 KMT2A (0.77) KMT2AMAPKAPK2MAPKAPK5S1PR1CHRM4
SCHEMBL8035748 0.91 KMT2A (0.76) KMT2AMAPKAPK2MAPKAPK5S1PR1CHRM4
SCHEMBL5541281 0.86 HTR7 (0.70) KMT2AMAPKAPK2MAPKAPK5CHRM4DRD2
SCHEMBL11277982 0.85 S1PR1 (0.60) KMT2AMAPKAPK2S1PR1HTR2BSIRT1
SCHEMBL14043228 0.84 HTR7 (0.71) KMT2AMAPKAPK2MAPKAPK5CHRM4DRD2
SCHEMBL31639048 0.84 HTR7 (0.67) KMT2AMAPKAPK2MAPKAPK5CHRM4DRD2
Bromide SCHEMBL6569631 0.83 HTR7 (0.70) KMT2AMAPKAPK2MAPKAPK5CHRM4DRD2
SCHEMBL6240399 0.83 HTR7 (0.70) KMT2AMAPKAPK2MAPKAPK5CHRM4DRD2
SCHEMBL6235224 0.82 MAPKAPK2 (1.00) MAPKAPK2MAPKAPK5ALDH1A1MAPTHTR2B
SCHEMBL28961219 0.82 HTR2A (0.70) MAPKAPK2S1PR1HTR2BSIRT1HTR2A

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 KMT2A 500/4885MAPKAPK2 1/4885MAPKAPK5 34/4885

“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.