SCHEMBL5016476

SCHEMBL5016476

CC(C)C1SC(Nc2ccc3[nH]ncc3c2)=NC1=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.45
ROCK1 Q13464 6/20 0.45
MKNK1 Q9BUB5 3/20 0.42
CYP3A4 P08684 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
SYK P43405 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
PRKG1 Q13976 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
POLB P06746 1/20 0.40
CDC7 O00311 1/20 0.40
HSF1 Q00613 1/20 0.40
MAPK1 P28482 1/20 0.40
PLK1 P53350 1/20 0.39
NPC1 O15118 1/20 0.39
JAK2 O60674 1/20 0.39
RAB9A P51151 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
SCHEMBL10285222 0.82 P2RX3 (0.41) SYKNPC1RAB9A
SCHEMBL5410108 0.68 ROCK2 (0.62) ROCK2ROCK1MKNK1CYP3A4MAPKAPK2
SCHEMBL1605432 0.68 AKT1 (0.36) POLBNPC1RAB9A
SCHEMBL1604778 0.66 GAA (0.44) SYKPOLBNPC1RAB9A
SCHEMBL2569041 0.66 ROCK2 (0.63) ROCK2ROCK1MKNK1MAPKAPK2PRKG1
SCHEMBL19699462 0.65 ROCK2 (0.71) ROCK2ROCK1PRKG1CLK4POLB
SCHEMBL1605555 0.65 ALDH1A1 (0.39) POLBNPC1RAB9A
SCHEMBL13122244 0.65 ROCK2 (0.54) ROCK2ROCK1MKNK1GSK3BMAPK1
SCHEMBL8788878 0.64 CLK1 (0.58) ROCK2ROCK1MKNK1MAPKAPK2CDC7
SCHEMBL30611438 0.64 MKNK1 (0.58) ROCK2ROCK1MKNK1MAPKAPK2CDC7

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 13 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-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-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-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-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 ROCK2 2359/4885ROCK1 531/4885MKNK1 3886/4885
US-20080045503-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD3B1, HSD17B1 ROCK2 2359/4885ROCK1 531/4885MKNK1 3886/4885
US-20070197598-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD11B2 ROCK2 3685/4885ROCK1 1582/4885MKNK1 2880/4885
US-20120010256-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD3B1, HSD17B1 ROCK2 2359/4885ROCK1 531/4885MKNK1 3886/4885
US-20070281938-A1 Inhibitors of 11-Beta-Hydroxy Steroid Dehydrogenase Type 1 HSD11B1, HSD3B1, HSD17B1 ROCK2 2091/4885ROCK1 506/4885MKNK1 3918/4885

“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.