SCHEMBL6238971

SCHEMBL6238971

Cc1ccc2[nH]c3c(c2c1)CCNC3C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 13/20 0.74
MAPKAPK5 Q8IW41 1/20 0.72
SIRT1 Q96EB6 4/20 0.62
RECQL P46063 1/20 0.54
SIRT2 Q8IXJ6 1/20 0.54
HTR2A P28223 3/20 0.53
HTR2C P28335 3/20 0.53
HTR2B P41595 1/20 0.52

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 SCHEMBL6360792 0.99 MAPKAPK2 (0.73) MAPKAPK2MAPKAPK5SIRT1RECQLSIRT2
SCHEMBL14924843 0.86 MAPKAPK2 (0.77) MAPKAPK2MAPKAPK5SIRT1RECQLSIRT2
SCHEMBL6240174 0.85 MAPKAPK2 (1.00) MAPKAPK2MAPKAPK5SIRT1HTR2AHTR2C
SCHEMBL6240455 0.84 MAPKAPK2 (1.00) MAPKAPK2MAPKAPK5SIRT1HTR2AHTR2C
SCHEMBL6239981 0.84 MAPKAPK2 (0.74) MAPKAPK2MAPKAPK5SIRT1HTR2AHTR2C
Hydrochloric Acid SCHEMBL6236292 0.84 MAPKAPK2 (0.97) MAPKAPK2MAPKAPK5HTR2AHTR2C
SCHEMBL6245012 0.84 MAPKAPK2 (1.00) MAPKAPK2MAPKAPK5SIRT1HTR2AHTR2C
SCHEMBL11491192 0.84 MAPKAPK2 (0.66) MAPKAPK2MAPKAPK5SIRT1HTR2AHTR2C
SCHEMBL12660570 0.84 MAPKAPK2 (1.00) MAPKAPK2MAPKAPK5SIRT1HTR2B
SCHEMBL6235224 0.84 MAPKAPK2 (1.00) MAPKAPK2MAPKAPK5SIRT1HTR2B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133104-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2015-09-15 US disclosed
US-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 US disclosed
US-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 US disclosed
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 (3 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-20130116318-A1 Enzyme Inhibitors HDAC1, HDAC11, HDAC7 MAPKAPK2 2180/4885MAPKAPK5 1542/4885SIRT1 69/4885
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 34/4885SIRT1 1037/4885
US-20140163042-A1 ENZYME INHIBITORS HAT1, NR2E1, HDAC3 MAPKAPK2 4562/4885MAPKAPK5 4524/4885SIRT1 1452/4885

“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.