SCHEMBL3679760

SCHEMBL3679760

O=C(NO)c1ccc(Nc2nc(-c3cnc4ccccn34)cs2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 13/20 0.74
HDAC6 Q9UBN7 1/20 0.52
CSNK2A1 P68400 3/20 0.48
IRAK4 Q9NWZ3 2/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
PIM1 P11309 1/20 0.48
RPS6KB1 P23443 1/20 0.48
CDK2 P24941 1/20 0.48
FLT4 P35916 1/20 0.48
FLT3 P36888 1/20 0.48
MAPK8 P45983 1/20 0.48
MAPK9 P45984 1/20 0.48
CSNK1D P48730 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
DYRK1A Q13627 1/20 0.48
TAOK1 Q7L7X3 1/20 0.48
PIM3 Q86V86 1/20 0.48
PRKD2 Q9BZL6 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
SCHEMBL12789767 0.92 PKM (0.71) PKMCSNK2A1IRAK4PRKD3MAP4K4
SCHEMBL12789926 0.91 PKM (0.79) PKMCSNK2A1MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL1203355 0.90 PKM (0.78) PKMCSNK2A1MEN1KMT2ANPC1
SCHEMBL3680281 0.89 PKM (0.70) PKMIRAK4PIM1MEN1KMT2A
SCHEMBL3678119 0.87 PKM (0.64) PKMMEN1KMT2A
SCHEMBL25349301 0.86 PKM (0.82) PKMCSNK2A1IRAK4PRKD3MAP4K4
SCHEMBL5026658 0.86 PKM (0.82) PKMCSNK2A1IRAK4PRKD3MAP4K4
SCHEMBL12881761 0.85 PKM (1.00) PKMIRAK4MEN1KMT2AMAPT
SCHEMBL3693510 0.85 PKM (0.61) PKMCSNK2A1MEN1KMT2A
SCHEMBL12789925 0.84 PKM (0.66) PKMCSNK2A1IRAK4PRKD3MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1724267-B1 PYRIMIDINE DERIVATIVE ASKA PHARM CO LTD (JP) 2013-11-06 EP 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
US-20110052527-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-03-03 US disclosed
US-7799775-B2 such as 3-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-3H-thieno[2,3-d]pyrimidin-4-one, having serotonin receptor modulatory activity, used for treating irritable bowel syndrome ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 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
US-20070197551-A1 Pyrimidine derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 US disclosed
EP-1724267-A1 PYRIMIDINE DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2006-11-22 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 (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-20070197551-A1 Pyrimidine derivatives HTR3B, HTR3A, HTR1A PKM 4148/4885HDAC6 3727/4885CSNK2A1 1868/4885
US-20090005374-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC8, HDAC5 PKM 585/4885HDAC6 11/4885CSNK2A1 87/4885
US-20110052527-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC8, HDAC5 PKM 585/4885HDAC6 11/4885CSNK2A1 87/4885

“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.