SCHEMBL4511208

SCHEMBL4511208

CC(=O)Nc1nc(C)c(-c2csc(NCc3cccnc3)n2)s1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 10/20 0.70
ALDH1A1 P00352 3/20 0.64
MAPT P10636 3/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
HPGD P15428 2/20 0.64
GAA P10253 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
PI4KB Q9UBF8 3/20 0.62
KDM4E B2RXH2 2/20 0.60
HTT P42858 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
HSD17B10 Q99714 1/20 0.60
POLB P06746 1/20 0.57
NPC1 O15118 1/20 0.56
LMNA P02545 1/20 0.56
RAB9A P51151 1/20 0.56

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
SCHEMBL4528074 0.89 ALDH1A1 (0.80) PIK3CGALDH1A1MAPTMEN1KMT2A
SCHEMBL4525947 0.88 PI4KB (0.67) PIK3CGALDH1A1MAPTMEN1KMT2A
SCHEMBL3511282 0.82 PIK3CG (1.00) PIK3CGALDH1A1MAPTMEN1KMT2A
SCHEMBL4530751 0.81 MAPT (0.81) PIK3CGALDH1A1MAPTMEN1KMT2A
SCHEMBL4528106 0.77 PI4KB (1.00) PIK3CGALDH1A1MAPTMEN1KMT2A
SCHEMBL4523664 0.77 PI4KB (0.74) PIK3CGALDH1A1MAPTMEN1KMT2A
SCHEMBL4523424 0.76 PI4KB (0.73) PIK3CGALDH1A1MAPTMEN1KMT2A
SCHEMBL4508168 0.76 PIK3CG (0.73) PIK3CGALDH1A1MAPTMEN1KMT2A
SCHEMBL4529536 0.76 PIK3CG (0.74) PIK3CGALDH1A1MAPTMEN1KMT2A
SCHEMBL4512892 0.76 PIK3CG (1.00) PIK3CGALDH1A1MAPTMEN1KMT2A

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 16 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

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 2806/4885ALDH1A1 234/4885MAPT 4151/4885
US-20090029998-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC PIK3CG 2526/4885ALDH1A1 174/4885MAPT 1418/4885

“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.