SCHEMBL2111372

SCHEMBL2111372

Nc1nc(CC(=O)N2CCOCC2)cs1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.58
GABRA5 P31644 1/20 0.54
GABRB2 P47870 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HSD11B1 P28845 1/20 0.52
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 2/20 0.41

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
SCHEMBL3620336 0.85 GABRA5 (0.57) SMN1; SMN2GABRA5GABRB2HSD17B10HSD11B1
SCHEMBL3621586 0.84 GABRA5 (0.55) SMN1; SMN2GABRA5GABRB2HSD17B10HSD11B1
SCHEMBL14159379 0.83 GABRA5 (0.54) SMN1; SMN2GABRA5GABRB2HSD17B10HSD11B1
SCHEMBL20649160 0.82 GABRA5 (0.53) SMN1; SMN2GABRA5GABRB2HSD17B10HSD11B1
Hydrochloric Acid SCHEMBL20640363 0.81 GABRA5 (0.51) SMN1; SMN2GABRA5GABRB2HSD17B10HSD11B1
SCHEMBL20640292 0.80 GABRA5 (0.51) SMN1; SMN2GABRA5GABRB2HSD17B10KMT2A
SCHEMBL3540370 0.79 F2 (0.58) SMN1; SMN2GABRA5GABRB2HSD17B10KMT2A
SCHEMBL2437388 0.78 HSD11B1 (0.58) HSD11B1KMT2ARAB9AALDH1A1MAPT
SCHEMBL2437394 0.78 HSD11B1 (0.58) HSD11B1KMT2ARAB9AALDH1A1MAPT
SCHEMBL19820647 0.77 HSD17B10 (0.47) SMN1; SMN2GABRA5GABRB2HSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158638-B2 Pyrazolopyrimidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-04-17 US disclosed
EP-2065388-B1 PYRAZOLOPYRIMIDINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2011-09-07 EP disclosed
US-20100113410-A1 PYRAZOLOPYRIMIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-05-06 US disclosed
US-20100113435-A1 INHIBITORS OF 11-BETA-HYDROXY STERIOD DEHYDROGENASE TYPE 1 BIOVITRUM AB 2010-05-06 US disclosed
US-7618961-B2 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2009-11-17 US disclosed
EP-2065388-A1 PYRAZOLOPYRIMIDINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-06-03 EP disclosed
CN-1249039-C Inhibitors of 11 beta-hydroxysteroid dehydrogenase type I BIOVITRUM AB (SE) 2006-04-05 CN disclosed
US-20040224996-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2004-11-11 US disclosed
CN-1438997-A Inhibitors of 11-beta-hydroxy steroid dehydrogenase type I BIOVITRUM AB (SE) 2003-08-27 CN disclosed
EP-1283831-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2003-02-19 EP disclosed
WO-2001090090-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2001-11-29 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 (3 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-20100113410-A1 PYRAZOLOPYRIMIDINE DERIVATIVE HSP90AB1, HSP90B1, HSP90AA1 SMN1; SMN2 4469/4885GABRA5 4073/4885GABRB2 3892/4885
US-20040224996-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD11B2 SMN1; SMN2 3226/4885GABRA5 2105/4885GABRB2 1661/4885
US-20100113435-A1 INHIBITORS OF 11-BETA-HYDROXY STERIOD DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD3B1 SMN1; SMN2 3799/4885GABRA5 2377/4885GABRB2 1435/4885

“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.