SCHEMBL1605306

SCHEMBL1605306

O=C1N=C(N[C@H]2C[C@H]3CC[C@H]2C3)SC1CCO

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
EPHX2 P34913 3/20 0.34
EPHX1 P07099 1/20 0.33
JAK3 P52333 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
CNR2 P34972 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BRS3 P32247 1/20 0.31
GABBR2 O75899 1/20 0.31
GABBR1 Q9UBS5 1/20 0.31
P2RX7 Q99572 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31

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
SCHEMBL1605427 1.00 JAK2 (0.35) JAK2JAK1EPHX2EPHX1JAK3
SCHEMBL1605303 1.00 JAK2 (0.35) JAK2JAK1EPHX2EPHX1JAK3
SCHEMBL10284770 0.93 EPHX2 (0.35) JAK2JAK1EPHX2EPHX1JAK3
SCHEMBL14531384 0.93 EPHX2 (0.35) JAK2JAK1EPHX2EPHX1JAK3
SCHEMBL1605212 0.88 JAK2 (0.36) JAK2JAK1EPHX2EPHX1JAK3
SCHEMBL1605209 0.88 JAK2 (0.36) JAK2JAK1EPHX2EPHX1JAK3
SCHEMBL10285219 0.87 JAK2 (0.35) JAK2JAK1EPHX2JAK3TAS1R3
SCHEMBL1382870 0.84 JAK2 (0.36) JAK2JAK1EPHX2JAK3TAS1R3
SCHEMBL1604882 0.84 EPHX2 (0.36) JAK2JAK1EPHX2EPHX1JAK3
Bromide SCHEMBL6428082 0.83 JAK2 (0.36) JAK2JAK1EPHX2JAK3TAS1R3

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 10 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
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-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-20060142357-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 AMGEN INC. 2006-06-29 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 (6 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 JAK2 4702/4885JAK1 3709/4885EPHX2 688/4885
US-20080045503-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD3B1, HSD17B1 JAK2 4702/4885JAK1 3709/4885EPHX2 688/4885
US-20070197598-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD11B2 JAK2 4534/4885JAK1 3089/4885EPHX2 1120/4885
US-20060142357-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD3B1, HSD17B1 JAK2 4702/4885JAK1 3709/4885EPHX2 688/4885
US-20120010256-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD3B1, HSD17B1 JAK2 4702/4885JAK1 3709/4885EPHX2 688/4885
US-20070281938-A1 Inhibitors of 11-Beta-Hydroxy Steroid Dehydrogenase Type 1 HSD11B1, HSD3B1, HSD17B1 JAK2 4652/4885JAK1 3866/4885EPHX2 615/4885

“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.