SCHEMBL1237245

SCHEMBL1237245

CC(=O)Nc1nc(C)c(-c2ccc(S(=O)(=O)NCCN3CCOCC3)s2)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 7/20 0.58
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.48
PIK3CD O00329 4/20 0.47
NPC1 O15118 1/20 0.47
TSHR P16473 1/20 0.47
CLK1 P49759 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.46
USP2 O75604 1/20 0.44
PIK3C3 Q8NEB9 2/20 0.44
PIK3C2A O00443 1/20 0.44
PIK3C2B O00750 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PI4KA P42356 1/20 0.44
PRKDC P78527 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
PHGDH O43175 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL1236742 0.86 ALDH1A1 (0.45) PIK3CGALDH1A1MAPK1NPC1TSHR
SCHEMBL1614920 0.86 ALDH1A1 (0.47) PIK3CGALDH1A1MAPK1NPC1TSHR
SCHEMBL1237544 0.84 PIK3CG (0.61) PIK3CGALDH1A1MAPK1PIK3CDNPC1
SCHEMBL1237616 0.84 KMT2A (0.50) ALDH1A1MAPK1TSHRKMT2AUSP2
SCHEMBL1613594 0.83 PIK3CG (0.56) PIK3CGALDH1A1MAPK1PIK3CDNPC1
SCHEMBL1234690 0.82 PIK3CG (0.61) PIK3CGPIK3CDPIK3C3PIK3C2APIK3C2B
SCHEMBL1234637 0.82 PIK3CG (0.53) PIK3CGALDH1A1PIK3CDNPC1TSHR
SCHEMBL1235063 0.81 PIK3CD (0.65) PIK3CGPIK3CDPIK3C3PIK3C2APIK3C2B
SCHEMBL16490590 0.81 PIK3CG (0.59) PIK3CGALDH1A1MAPK1PIK3CDNPC1
SCHEMBL925738 0.80 PIK3CG (0.56) PIK3CGALDH1A1MAPK1PIK3CDNPC1

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-8399497-B2 Thiazole derivatives and use thereof MERCK SERONO SA (CH) 2013-03-19 US claimed
US-20110086843-A1 Thiazole Derivatives and Use Thereof MERCK SERONO SA (CH) 2011-04-14 US claimed
US-7879888-B2 N-(4-methyl-5-{5-[(prop-2-yn-1-ylamino)sulfonyl]-2-thienyl}-1,3-thiazol-2-yl)acetamide; autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, bacterial or viral infections, kidney diseases, platelet aggregation, cancer, transplantation, graft rejection MERCK SERONO SA (CH) 2011-02-01 US claimed
US-20080221180-A1 Thiazole Derivatives and Use Thereof LABORATORIES SERONO SA (CH) 2008-09-11 US claimed
EP-1885716-A1 THIAZOLE DERIVATIVES AND USE THEREOF Laboratoires Serono SA (CH) 2008-02-13 EP claimed
WO-2006125803-A1 THIAZOLE DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2006-11-30 WO claimed
US-8399497-B2 Thiazole derivatives and use thereof MERCK SERONO SA (CH) 2013-03-19 US disclosed
US-8399497-B2 Thiazole derivatives and use thereof MERCK SERONO SA (CH) 2013-03-19 US disclosed
US-8399497-B2 Thiazole derivatives and use thereof MERCK SERONO SA (CH) 2013-03-19 US disclosed
US-20110086843-A1 Thiazole Derivatives and Use Thereof MERCK SERONO SA (CH) 2011-04-14 US disclosed
US-20110086843-A1 Thiazole Derivatives and Use Thereof MERCK SERONO SA (CH) 2011-04-14 US disclosed
US-20110086843-A1 Thiazole Derivatives and Use Thereof MERCK SERONO SA (CH) 2011-04-14 US disclosed
US-7879888-B2 N-(4-methyl-5-{5-[(prop-2-yn-1-ylamino)sulfonyl]-2-thienyl}-1,3-thiazol-2-yl)acetamide; autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, bacterial or viral infections, kidney diseases, platelet aggregation, cancer, transplantation, graft rejection MERCK SERONO SA (CH) 2011-02-01 US disclosed
US-7879888-B2 N-(4-methyl-5-{5-[(prop-2-yn-1-ylamino)sulfonyl]-2-thienyl}-1,3-thiazol-2-yl)acetamide; autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, bacterial or viral infections, kidney diseases, platelet aggregation, cancer, transplantation, graft rejection MERCK SERONO SA (CH) 2011-02-01 US disclosed
US-7879888-B2 N-(4-methyl-5-{5-[(prop-2-yn-1-ylamino)sulfonyl]-2-thienyl}-1,3-thiazol-2-yl)acetamide; autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, bacterial or viral infections, kidney diseases, platelet aggregation, cancer, transplantation, graft rejection MERCK SERONO SA (CH) 2011-02-01 US disclosed
US-20080221180-A1 Thiazole Derivatives and Use Thereof LABORATORIES SERONO SA (CH) 2008-09-11 US disclosed
US-20080221180-A1 Thiazole Derivatives and Use Thereof LABORATORIES SERONO SA (CH) 2008-09-11 US disclosed
US-20080221180-A1 Thiazole Derivatives and Use Thereof LABORATORIES SERONO SA (CH) 2008-09-11 US 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-20080221180-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC PIK3CG 2526/4885ALDH1A1 174/4885MAPK1 3403/4885
US-20110086843-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC PIK3CG 2526/4885ALDH1A1 174/4885MAPK1 3403/4885

“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.