SCHEMBL6235510

SCHEMBL6235510

COc1ccc2[nH]c3c(c2c1)CCN(C)C3C(N)=O

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 8/20 0.81
SIRT1 Q96EB6 2/20 0.55
MAPKAPK5 Q8IW41 2/20 0.55
MAPT P10636 3/20 0.53
TP53 P04637 2/20 0.53
ALDH1A1 P00352 1/20 0.51
HTR2B P41595 1/20 0.51
BAZ2B Q9UIF8 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPKAPK3 Q16644 1/20 0.47
KDR P35968 1/20 0.47
USP2 O75604 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 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
SCHEMBL1658785 0.90 MAPKAPK2 (1.00) MAPKAPK2SIRT1MAPKAPK5MAPTTP53
SCHEMBL6236968 0.89 MAPKAPK2 (0.81) MAPKAPK2SIRT1MAPKAPK5MAPTTP53
Trifluoroacetic Acid SCHEMBL6358930 0.83 MAPKAPK2 (0.86) MAPKAPK2SIRT1MAPKAPK5MAPTTP53
SCHEMBL6241557 0.78 MAPKAPK2 (1.00) MAPKAPK2SIRT1MAPKAPK5MAPTTP53
SCHEMBL6239882 0.78 MAPKAPK2 (0.74) MAPKAPK2SIRT1MAPKAPK5MAPTTP53
SCHEMBL6243057 0.78 MAPKAPK2 (0.65) MAPKAPK2SIRT1MAPKAPK5MAPTTP53
SCHEMBL6236811 0.77 MAPKAPK2 (0.64) MAPKAPK2SIRT1MAPKAPK5MAPTTP53
SCHEMBL6239836 0.77 MAPKAPK2 (0.80) MAPKAPK2SIRT1MAPKAPK5MAPTALDH1A1
SCHEMBL3873169 0.77 MAPKAPK2 (0.49) MAPKAPK2SIRT1ABCG2
SCHEMBL7854483 0.77 MAPKAPK2 (0.66) MAPKAPK2SIRT1MAPKAPK5MAPTTP53

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 1/4885SIRT1 1037/4885MAPKAPK5 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.