SCHEMBL2789183

SCHEMBL2789183

NC(=O)c1ccc(NC2=NC(=O)/C(=C\c3ccc4ncccc4c3)S2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
RAB9A P51151 2/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PIK3CD O00329 1/20 0.47
PIM1 P11309 1/20 0.47
CSNK2A2 P19784 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CG P48736 1/20 0.47
CLK1 P49759 1/20 0.47
CLK3 P49761 1/20 0.47
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 1/20 0.47
DYRK1A Q13627 1/20 0.47
HASPIN Q8TF76 1/20 0.47

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
SCHEMBL2789187 1.00 NPC1 (0.48) NPC1ALDH1A1MEN1MAPTKMT2A
SCHEMBL2790132 0.90 PIK3CD (0.45) NPC1ALDH1A1MEN1MAPTKMT2A
SCHEMBL2790134 0.90 PIK3CD (0.45) NPC1ALDH1A1MEN1MAPTKMT2A
SCHEMBL2999979 0.86 MAPT (0.48) NPC1ALDH1A1MEN1MAPTKMT2A
SCHEMBL2999987 0.86 MAPT (0.48) NPC1ALDH1A1MEN1MAPTKMT2A
SCHEMBL2995102 0.86 PIK3CD (0.52) NPC1ALDH1A1MEN1MAPTKMT2A
SCHEMBL2995105 0.86 PIK3CD (0.52) NPC1ALDH1A1MEN1MAPTKMT2A
SCHEMBL2983644 0.82 PIK3CD (0.55) NPC1ALDH1A1MEN1MAPTKMT2A
SCHEMBL2983639 0.82 PIK3CD (0.55) NPC1ALDH1A1MEN1MAPTKMT2A
SCHEMBL4957783 0.82 PIK3CD (0.40) NPC1ALDH1A1MEN1MAPTKMT2A

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-7767701-B2 protein serine/threonine kinase inhibitors such as 2-(2-Chloro-5-fluoro-phenylimino)-5-(2,3-dihydro-benzo[1-6]dioxin-6-ylmethylene)-thiazolidin-4-one, used for treating autoimmune diseases, HIV, cancer, anemia myelodysplastic syndrome and thrombocytopenia GLAXOSMITHKLINE LLC (US) 2010-08-03 US claimed
US-20090023742-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-01-22 US claimed
EP-1993535-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-11-26 EP claimed
EP-1567112-B1 THIAZOLIDIN-4-ONES FOR INHIBITING hYAK3 PROTEINS SMITHKLINE BEECHAM CORP (US) 2008-10-15 EP claimed
WO-2007103754-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-13 WO claimed
US-20060293338-A1 Novel chemical compounds GLAXOSMITHKLINE LLC 2006-12-28 US claimed
EP-1567112-A4 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2006-11-15 EP claimed
EP-1567112-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-31 EP claimed
WO-2004047760-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-10 WO claimed
US-7767701-B2 protein serine/threonine kinase inhibitors such as 2-(2-Chloro-5-fluoro-phenylimino)-5-(2,3-dihydro-benzo[1-6]dioxin-6-ylmethylene)-thiazolidin-4-one, used for treating autoimmune diseases, HIV, cancer, anemia myelodysplastic syndrome and thrombocytopenia GLAXOSMITHKLINE LLC (US) 2010-08-03 US disclosed
US-20090023742-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-01-22 US disclosed
EP-1993535-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-11-26 EP disclosed
EP-1567112-B1 THIAZOLIDIN-4-ONES FOR INHIBITING hYAK3 PROTEINS SMITHKLINE BEECHAM CORP (US) 2008-10-15 EP disclosed
WO-2007103754-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-13 WO disclosed
US-20060293338-A1 Novel chemical compounds GLAXOSMITHKLINE LLC 2006-12-28 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-20060293338-A1 Novel chemical compounds HIPK3, HIPK1, HIPK4 NPC1 1862/4885ALDH1A1 4004/4885MEN1 4161/4885
US-20090023742-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA NPC1 2430/4885ALDH1A1 1198/4885MEN1 2870/4885

“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.