SCHEMBL5015311

SCHEMBL5015311

CC(NC1=NC(=O)C(C)(C(C)C)S1)c1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
MAPKAPK2 P49137 4/20 0.37
ROCK1 Q13464 2/20 0.37
AURKB Q96GD4 2/20 0.37
CYP2C9 P11712 2/20 0.37
DCLK1 O15075 1/20 0.37
ROCK2 O75116 1/20 0.37
CHEK2 O96017 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
IRAK1 P51617 1/20 0.37
PRKX P51817 1/20 0.37
NEK4 P51957 1/20 0.37
PLK1 P53350 1/20 0.37
CSNK1G2 P78368 1/20 0.37
CDC42BPA Q5VT25 1/20 0.37
BRSK1 Q8TDC3 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
STK17A Q9UEE5 1/20 0.37
CSNK1G3 Q9Y6M4 1/20 0.37

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
SCHEMBL10249158 1.00 GAA (0.42) GAAMAPKAPK2ROCK1AURKBCYP2C9
SCHEMBL10249386 1.00 GAA (0.42) GAAMAPKAPK2ROCK1AURKBCYP2C9
SCHEMBL10249248 1.00 GAA (0.42) GAAMAPKAPK2ROCK1AURKBCYP2C9
SCHEMBL10249151 1.00 GAA (0.42) GAAMAPKAPK2ROCK1AURKBCYP2C9
SCHEMBL1605943 0.87 LMNA (0.44) GAAMAPKAPK2ROCK1AURKBCYP2C9
SCHEMBL1605158 0.87 LMNA (0.44) GAAMAPKAPK2ROCK1AURKBCYP2C9
SCHEMBL10248107 0.86 IDH1 (0.36) HDAC1ALDH1A1LMNATAAR1IDH1
SCHEMBL14429456 0.85 IDH1 (0.37) ALDH1A1IDH1
SCHEMBL1605317 0.85 IDH1 (0.41) MAPKAPK2IDH1
SCHEMBL1605852 0.85 IDH1 (0.41) MAPKAPK2IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541592-B2 Inhibitors of 11-beta-hydroxysteroid dehydrogenase type 1 AMGEN INC. (US) 2013-09-24 US disclosed
US-8541592-B2 Inhibitors of 11-beta-hydroxysteroid dehydrogenase type 1 AMGEN INC. (US) 2013-09-24 US disclosed
US-20120010256-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB 2012-01-12 US disclosed
US-20120010256-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB 2012-01-12 US disclosed
US-20110082107-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AMGEN INC. 2011-04-07 US disclosed
US-20110082107-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AMGEN INC. 2011-04-07 US disclosed
US-7807700-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 AMGEN INC. (US) 2010-10-05 US disclosed
US-7807700-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 AMGEN INC. (US) 2010-10-05 US disclosed
EP-1753736-B1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AMGEN INC (US) 2008-12-17 EP disclosed
EP-1753736-B1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AMGEN INC (US) 2008-12-17 EP disclosed
US-20080045503-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 AMGEN INC. 2008-02-21 US disclosed
US-20080045503-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 AMGEN INC. 2008-02-21 US disclosed
US-20070281938-A1 Inhibitors of 11-Beta-Hydroxy Steroid Dehydrogenase Type 1 AMGEN INC. 2007-12-06 US disclosed
US-20070281938-A1 Inhibitors of 11-Beta-Hydroxy Steroid Dehydrogenase Type 1 AMGEN INC. 2007-12-06 US disclosed
US-20070197598-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 AMGEN INC. 2007-08-23 US disclosed
US-20070197598-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 AMGEN INC. 2007-08-23 US disclosed
US-7253196-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 AMGEN, INC. (US) 2007-08-07 US disclosed
US-7253196-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 AMGEN, INC. (US) 2007-08-07 US disclosed
US-7253196-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 AMGEN, INC. (US) 2007-08-07 US disclosed
WO-2007061661-A2 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AMGEN INC. (US) 2007-05-31 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 (5 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-20110082107-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD3B1, HSD17B1 GAA 393/4885MAPKAPK2 4391/4885ROCK1 531/4885
US-20080045503-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD3B1, HSD17B1 GAA 393/4885MAPKAPK2 4391/4885ROCK1 531/4885
US-20070197598-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD11B2 GAA 247/4885MAPKAPK2 3474/4885ROCK1 1582/4885
US-20120010256-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD3B1, HSD17B1 GAA 393/4885MAPKAPK2 4391/4885ROCK1 531/4885
US-20070281938-A1 Inhibitors of 11-Beta-Hydroxy Steroid Dehydrogenase Type 1 HSD11B1, HSD3B1, HSD17B1 GAA 775/4885MAPKAPK2 4260/4885ROCK1 506/4885

“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.