SCHEMBL4522975

SCHEMBL4522975

CCc1ccccc1Nc1nc(-c2sc(NC(C)=O)nc2C)cs1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.73
OPRM1 P35372 2/20 0.72
PIK3CG P48736 1/20 0.68
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
POLB P06746 1/20 0.66
ALDH1A1 P00352 3/20 0.66
MAPT P10636 3/20 0.66
HPGD P15428 1/20 0.66
KDM4E B2RXH2 2/20 0.65
LMNA P02545 2/20 0.65
HTT P42858 2/20 0.65
NPC1 O15118 1/20 0.65
RAB9A P51151 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
PI4KB Q9UBF8 1/20 0.64
USP2 O75604 1/20 0.62
GAA P10253 1/20 0.62
ALOX15 P16050 1/20 0.62
TSHR P16473 1/20 0.62

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
SCHEMBL4524565 0.91 MMP9 (0.69) MMP9OPRM1PIK3CGMEN1KMT2A
SCHEMBL4524394 0.88 ALDH1A1 (0.78) MMP9PIK3CGMEN1KMT2APOLB
SCHEMBL4520347 0.87 MMP9 (0.76) MMP9PIK3CGMEN1KMT2APOLB
Bromide SCHEMBL14053708 0.86 MMP9 (0.74) MMP9PIK3CGMEN1KMT2APOLB
SCHEMBL14146803 0.86 PIK3CG (0.76) MMP9PIK3CGMEN1KMT2APOLB
SCHEMBL4511244 0.86 MMP9 (0.74) MMP9PIK3CGMEN1KMT2APOLB
SCHEMBL14053663 0.86 MAPT (0.81) MMP9PIK3CGMEN1KMT2AALDH1A1
SCHEMBL14146953 0.85 MMP9 (0.70) MMP9PIK3CGMEN1KMT2APOLB
SCHEMBL8738344 0.85 MMP9 (0.73) MMP9PIK3CGMEN1KMT2APOLB
SCHEMBL14146824 0.85 MMP9 (0.73) MMP9PIK3CGMEN1KMT2APOLB

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 17 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
JP-2007517835-A 2007-07-05 JP claimed
EP-1709019-A2 THIAZOLE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2006-10-11 EP claimed
WO-2005068444-A2 THIAZOLE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-07-28 WO claimed
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-8802861-B2 Thiazole derivatives and use thereof MERCK SERONO SA (CH) 2014-08-12 US disclosed
WO-2012162468-A1 THIAZOL DERIVATIVES AS PRO -MATRIX METALLOPROTEINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 WO disclosed
US-20120302573-A1 METHODS OF INHIBITING PRO MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 US disclosed
US-20120302573-A1 METHODS OF INHIBITING PRO MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 US disclosed
US-20120302573-A1 METHODS OF INHIBITING PRO MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 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 (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-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF PF4, TEC, PDGFRB MMP9 2730/4885OPRM1 3711/4885PIK3CG 2806/4885
US-20120302573-A1 METHODS OF INHIBITING PRO MATRIX METALLOPROTEINASE ACTIVATION MMP13, MMP8, MMP11 MMP9 8/4885OPRM1 3431/4885PIK3CG 4407/4885
US-20090029998-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC MMP9 3787/4885OPRM1 3609/4885PIK3CG 2526/4885

“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.