SCHEMBL4534987

SCHEMBL4534987

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 8/20 1.00
PIK3CD O00329 1/20 0.70
PIK3CA P42336 1/20 0.70
PIK3CB P42338 1/20 0.70
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
ALDH1A1 P00352 3/20 0.69
MAPT P10636 3/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
LMNA P02545 2/20 0.69
NPC1 O15118 1/20 0.69
CLK1 P49759 1/20 0.69
PI4KB Q9UBF8 5/20 0.67
POLB P06746 1/20 0.65
KDM4E B2RXH2 2/20 0.62
HTT P42858 2/20 0.62
HSD17B10 Q99714 2/20 0.62
HPGD P15428 1/20 0.62
USP2 O75604 1/20 0.61
GAA P10253 1/20 0.61

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
SCHEMBL2837166 0.85 PIK3CG (0.74) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL16882665 0.84 PIK3CG (0.73) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL5960477 0.84 PIK3CG (0.73) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL29089046 0.83 PIK3CG (0.74) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL2833123 0.83 PIK3CG (0.71) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL4532662 0.82 PIK3CG (1.00) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL3511005 0.82 PIK3CG (1.00) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL3513224 0.82 PIK3CG (0.70) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL2836277 0.82 PIK3CG (0.70) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL2831536 0.82 PIK3CG (0.70) PIK3CGPIK3CDPIK3CAPIK3CBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2806/4885PIK3CD 1889/4885PIK3CA 2226/4885
US-20090029998-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC PIK3CG 2526/4885PIK3CD 1844/4885PIK3CA 1647/4885

“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.