SCHEMBL4521807

SCHEMBL4521807

CC(=O)Nc1nc(C)c(-c2csc(NCCc3nnc(O)o3)n2)s1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 10/20 0.73
PI4KB Q9UBF8 5/20 0.67
ALDH1A1 P00352 3/20 0.59
MAPT P10636 3/20 0.59
KDM4E B2RXH2 2/20 0.59
HTT P42858 2/20 0.59
HSD17B10 Q99714 2/20 0.59
HPGD P15428 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
POLB P06746 1/20 0.53
USP2 O75604 1/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
GFER P55789 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL5484735 0.95 PIK3CG (0.67) PIK3CGPI4KBALDH1A1MAPTKDM4E
SCHEMBL4525099 0.94 PIK3CG (0.66) PIK3CGPI4KBALDH1A1MAPTKDM4E
SCHEMBL4528106 0.81 PI4KB (1.00) PIK3CGPI4KBALDH1A1MAPTKDM4E
SCHEMBL4523621 0.81 PI4KB (0.71) PIK3CGPI4KBALDH1A1MAPTKDM4E
SCHEMBL4512892 0.80 PIK3CG (1.00) PIK3CGPI4KBALDH1A1MAPTKDM4E
SCHEMBL4530751 0.80 MAPT (0.81) PIK3CGPI4KBALDH1A1MAPTKDM4E
SCHEMBL4513836 0.79 PIK3CG (0.81) PIK3CGPI4KBALDH1A1MAPTKDM4E
SCHEMBL4507830 0.79 PI4KB (0.87) PIK3CGPI4KBALDH1A1MAPTKDM4E
SCHEMBL4522979 0.78 PI4KB (0.67) PIK3CGPI4KBALDH1A1MAPTKDM4E
SCHEMBL5427675 0.78 PIK3CG (1.00) PIK3CGPI4KBALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802861-B2 Thiazole derivatives and use thereof MERCK SERONO SA (CH) 2014-08-12 US claimed
US-20090029998-A1 Thiazole Derivatives and Use Thereof APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2009-01-29 US claimed
EP-1709019-B1 THIAZOLE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS (AN) 2007-08-08 EP claimed
US-9150561-B2 Thiazole derivatives and use thereof MERCK SERONO S.A. (CH) 2015-10-06 US disclosed
US-9150561-B2 Thiazole derivatives and use thereof MERCK SERONO S.A. (CH) 2015-10-06 US disclosed
US-9150561-B2 Thiazole derivatives and use thereof MERCK SERONO S.A. (CH) 2015-10-06 US disclosed
US-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF MERCK SERONO S.A. (CH) 2014-08-14 US disclosed
US-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF MERCK SERONO S.A. (CH) 2014-08-14 US disclosed
US-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF MERCK SERONO S.A. (CH) 2014-08-14 US disclosed
US-8802861-B2 Thiazole derivatives and use thereof MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-8802861-B2 Thiazole derivatives and use thereof MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-8802861-B2 Thiazole derivatives and use thereof MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-20090029998-A1 Thiazole Derivatives and Use Thereof APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2009-01-29 US disclosed
US-20090029998-A1 Thiazole Derivatives and Use Thereof APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2009-01-29 US disclosed
US-20090029998-A1 Thiazole Derivatives and Use Thereof APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2009-01-29 US disclosed
EP-1709019-B1 THIAZOLE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS (AN) 2007-08-08 EP disclosed
EP-1709019-A2 THIAZOLE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2006-10-11 EP disclosed
WO-2005068444-A2 THIAZOLE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-07-28 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 (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-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF PF4, TEC, PDGFRB PIK3CG 2806/4885PI4KB 2458/4885ALDH1A1 234/4885
US-20090029998-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC PIK3CG 2526/4885PI4KB 1755/4885ALDH1A1 174/4885

“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.