SCHEMBL12656805

SCHEMBL12656805

Cc1cc(Nc2cc(C)nc(Sc3ccc(NC(=O)OC(C)(C)C)cc3)n2)[nH]n1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 18/20 0.56
AURKA O14965 15/20 0.56
SIRT2 Q8IXJ6 1/20 0.42
SRC P12931 2/20 0.41
GSK3B P49841 2/20 0.41
AURKC Q9UQB9 1/20 0.41
MAPKAPK2 P49137 1/20 0.39

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
SCHEMBL1816236 0.93 AURKB (0.55) AURKBAURKASRCGSK3BAURKC
SCHEMBL1532395 0.86 AURKA (0.61) AURKBAURKASRCAURKCMAPKAPK2
SCHEMBL2202920 0.82 AURKA (0.77) AURKBAURKASRCGSK3BAURKC
SCHEMBL12657163 0.81 AURKA (0.52) AURKBAURKASIRT2MAPKAPK2
SCHEMBL1532353 0.81 AURKB (0.53) AURKBAURKASRCGSK3BAURKC
SCHEMBL2203133 0.80 AURKB (0.60) AURKBAURKASRCGSK3BAURKC
SCHEMBL15725191 0.79 AURKB (0.56) AURKBAURKASRCGSK3BAURKC
SCHEMBL12102920 0.79 AURKA (0.50) AURKBAURKASRCGSK3B
SCHEMBL1078617 0.78 AURKB (0.64) AURKBAURKASRCGSK3B
SCHEMBL12338812 0.77 AURKB (0.58) AURKBAURKASRCAURKCMAPKAPK2

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-20110117073-A1 Protein Kinase Conjugates and Inhibitors AVILA THERAPEUTICS, INC. (US) 2011-05-19 US disclosed
US-20100185419-A1 ALGORITHM FOR DESIGNING IRREVERSIBLE INHIBITORS AVILA THERAPEUTICS, INC. (US) 2010-07-22 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 (2 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-20100185419-A1 ALGORITHM FOR DESIGNING IRREVERSIBLE INHIBITORS CDKN1A, SERPINB1, SPR AURKB 36/4885AURKA 47/4885SIRT2 433/4885
US-20110117073-A1 Protein Kinase Conjugates and Inhibitors MAP3K20, PACSIN2, MAP3K9 AURKB 50/4885AURKA 37/4885SIRT2 3039/4885

“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.