SCHEMBL4523307

SCHEMBL4523307

CC(=O)Nc1nc(C)c(-c2csc(Nc3cccnc3F)n2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 4/20 1.00
MEN1 O00255 5/20 0.68
KMT2A Q03164 5/20 0.68
KDM4E B2RXH2 3/20 0.68
ALDH1A1 P00352 3/20 0.68
MAPT P10636 3/20 0.68
LMNA P02545 2/20 0.68
HTT P42858 2/20 0.68
RAB9A P51151 2/20 0.68
NPC1 O15118 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
MMP9 P14780 1/20 0.67
POLB P06746 1/20 0.64
USP2 O75604 1/20 0.60
GAA P10253 1/20 0.60
ALOX15 P16050 1/20 0.60
TSHR P16473 1/20 0.60
GFER P55789 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
HSD17B10 Q99714 1/20 0.60

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
SCHEMBL6121233 0.89 PIK3CG (0.80) PIK3CGMEN1KMT2AKDM4EALDH1A1
Bromide SCHEMBL6114101 0.88 PIK3CG (0.78) PIK3CGMEN1KMT2AKDM4EALDH1A1
SCHEMBL4522794 0.88 PIK3CG (0.78) PIK3CGMEN1KMT2AKDM4EALDH1A1
SCHEMBL8738490 0.87 PIK3CG (0.77) PIK3CGMEN1KMT2AKDM4EALDH1A1
SCHEMBL14146803 0.86 PIK3CG (0.76) PIK3CGMEN1KMT2AKDM4EALDH1A1
SCHEMBL8737792 0.86 PIK3CG (0.75) PIK3CGMEN1KMT2AKDM4EALDH1A1
SCHEMBL4526456 0.85 PIK3CG (0.74) PIK3CGMEN1KMT2AKDM4EALDH1A1
SCHEMBL4524394 0.84 ALDH1A1 (0.78) PIK3CGMEN1KMT2AKDM4EALDH1A1
SCHEMBL4520347 0.83 MMP9 (0.76) PIK3CGMEN1KMT2AKDM4EALDH1A1
SCHEMBL4511244 0.82 MMP9 (0.74) PIK3CGMEN1KMT2AKDM4EALDH1A1

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
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-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-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 2806/4885MEN1 1164/4885KMT2A 4760/4885
US-20090029998-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC PIK3CG 2526/4885MEN1 1761/4885KMT2A 4737/4885

“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.