SCHEMBL2994948

SCHEMBL2994948

CC(C)C(=O)Nc1ccc(Cl)c(NC2=NC(=O)/C(=C/c3ccc4nccnc4c3)S2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.41
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
MEN1 O00255 5/20 0.41
POLB P06746 3/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
ALDH1A1 P00352 6/20 0.39
CISD1 Q9NZ45 2/20 0.39
KDM4E B2RXH2 6/20 0.39
HPGD P15428 4/20 0.39
MAPT P10636 4/20 0.39
CLK1 P49759 2/20 0.39
DYRK1A Q13627 2/20 0.39
DYRK2 Q92630 2/20 0.39
DYRK1B Q9Y463 2/20 0.39
TP53 P04637 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
HSD17B10 Q99714 2/20 0.39

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
SCHEMBL2994951 1.00 KMT2A (0.41) KMT2ANPC1RAB9AMEN1POLB
SCHEMBL2996479 0.90 DYRK3 (0.42) KMT2ANPC1RAB9AMEN1POLB
SCHEMBL2996481 0.90 DYRK3 (0.42) KMT2ANPC1RAB9AMEN1POLB
SCHEMBL2992895 0.88 NPC1 (0.39) KMT2ANPC1RAB9AMEN1POLB
SCHEMBL2990900 0.88 ALOX5 (0.44) KMT2ANPC1RAB9AMEN1POLB
SCHEMBL2990895 0.88 ALOX5 (0.44) KMT2ANPC1RAB9AMEN1POLB
SCHEMBL2992893 0.88 NPC1 (0.39) KMT2ANPC1RAB9AMEN1POLB
SCHEMBL2989589 0.87 NPC1 (0.41) KMT2ANPC1RAB9AMEN1POLB
SCHEMBL2989591 0.87 NPC1 (0.41) KMT2ANPC1RAB9AMEN1POLB
SCHEMBL4949454 0.87 CISD1 (0.40) KMT2ANPC1RAB9AMEN1POLB

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-20100216801-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-08-26 US claimed
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 US claimed
EP-1993538-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-11-26 EP claimed
EP-1885362-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-02-13 EP claimed
WO-2007103758-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-13 WO claimed
WO-2006127458-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-30 WO claimed
US-20100216801-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-08-26 US disclosed
US-20100184774-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION 2010-07-22 US disclosed
EP-2164494-A1 METHODS OF TREATMENT GlaxoSmithKline LLC (US) 2010-03-24 EP disclosed
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 US disclosed
WO-2008150837-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
EP-1993538-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-11-26 EP disclosed
EP-1885362-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-02-13 EP disclosed
WO-2007103758-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-13 WO disclosed
WO-2006127458-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-30 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-20100216801-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA KMT2A 3096/4885NPC1 2430/4885RAB9A 1514/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 KMT2A 2272/4885NPC1 2692/4885RAB9A 2892/4885
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 KMT2A 3294/4885NPC1 2040/4885RAB9A 1181/4885

“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.