SCHEMBL3680281

SCHEMBL3680281

O=C(NO)c1cccc(Nc2nc(-c3cnc4ccccn34)cs2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 11/20 0.70
CSNK2A2 P19784 1/20 0.51
CSNK2B P67870 1/20 0.51
GAA P10253 2/20 0.49
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
KLF5 Q13887 1/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
NR2F2 P24468 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL3679760 0.89 PKM (0.74) PKMMAPTSMN1; SMN2MEN1NPC1
SCHEMBL13970135 0.85 PKM (0.59) PKMCSNK2A2CSNK2BGAAMAPT
SCHEMBL12789953 0.85 PKM (0.64) PKMGAACACNA1BAPBA1KLF5
SCHEMBL5022325 0.85 PKM (0.77) PKMGAACACNA1BAPBA1KLF5
SCHEMBL5016523 0.83 PKM (0.79) PKMGAACACNA1BAPBA1KLF5
SCHEMBL13984938 0.83 KDR (0.51) PKMIRAK4
SCHEMBL12881761 0.83 PKM (1.00) PKMGAAALDH1A1MAPTSMN1; SMN2
SCHEMBL5025422 0.83 PKM (0.77) PKMGAACACNA1BAPBA1KLF5
SCHEMBL699041 0.82 CDK2 (0.68) PKMIRAK4
SCHEMBL12790108 0.82 PKM (0.56) PKMCSNK2A2CSNK2BGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110052527-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-03-03 US disclosed
US-20110052527-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-03-03 US disclosed
US-20110052527-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-03-03 US disclosed
EP-2170882-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS Gilead Colorado, Inc. (US) 2010-04-07 EP disclosed
US-20090005374-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS GILEAD SCIENCES, INC. 2009-01-01 US disclosed
US-20090005374-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS GILEAD SCIENCES, INC. 2009-01-01 US disclosed
US-20090005374-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS GILEAD SCIENCES, INC. 2009-01-01 US disclosed
WO-2009002534-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS GILEAD COLORADO, INC. (US) 2008-12-31 WO disclosed
WO-2009002534-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS GILEAD COLORADO, INC. (US) 2008-12-31 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 (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-20090005374-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC8, HDAC5 PKM 585/4885CSNK2A2 97/4885CSNK2B 96/4885
US-20110052527-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC8, HDAC5 PKM 585/4885CSNK2A2 97/4885CSNK2B 96/4885

“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.