SCHEMBL2550753

SCHEMBL2550753

CC([O])NC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA7 P43166 1/20 0.55
CYP2D6 P10635 1/20 0.49
CTSK P43235 9/20 0.46
CTSS P25774 5/20 0.46
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
KMT2A Q03164 3/20 0.42
CA12 O43570 1/20 0.42
CA14 Q9ULX7 1/20 0.42
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
PREP P48147 1/20 0.40

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
SCHEMBL375811 0.84 CA1 (0.53) CA1CA2CA7CYP2D6CTSK
SCHEMBL10652 0.83 CA1 (0.57) CA1CA2CA7CYP2D6CTSK
SCHEMBL24069882 0.83 CA1 (0.57) CA1CA2CA7CYP2D6CTSK
SCHEMBL305895 0.81 CA1 (0.55) CA1CA2CA7CYP2D6CTSK
Ammonia Solution, Strong SCHEMBL9235390 0.81 CA1 (0.55) CA1CA2CA7CYP2D6CTSK
SCHEMBL7148686 0.81 CA1 (0.55) CA1CA2CA7CYP2D6CTSK
SCHEMBL16656605 0.80 CA1 (0.50) CA1CA2CA7CYP2D6CTSK
SCHEMBL19965251 0.80 CA1 (0.50) CA1CA2CA7CYP2D6CTSK
SCHEMBL6422715 0.80 CA1 (0.50) CA1CA2CA7CYP2D6CTSK
SCHEMBL1303375 0.79 CA1 (0.53) CA1CA2CA7CYP2D6CTSK

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490367-B1 IMIDAZOPYRIDINE DERIVATIVES AS KINASE INHIBITORS GLAXO GROUP LTD (GB) 2008-07-23 EP claimed
US-7348339-B2 2-(4-amino-furazan-3-yl)-1-ethyl-N-[(2R)-2-morpholinylmethyl]-1H-imidazo[4,5-c]pyridine-7-carboxamide; Mitogen- and Stress-Activated Protein (MSK) and Rho (guanosine triphosphate) 1 or 2 kinase inhibitor; neurodegenerative diaeases; antiinflammatory, anticarcinogenic, antiviral and antibacterial agent GLAXO GROUP LIMITED (GB) 2008-03-25 US claimed
US-20050197328-A1 Imidazopyridine derivatives as kinase inhibitors GLAXO GROUP LIMITED (GB) 2005-09-08 US claimed
EP-1490367-A1 IMIDAZOPYRIDINE DERIVATIVES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-29 EP claimed
WO-2003080610-A1 IMIDAZOPYRIDINE DERIVATIVES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-10-02 WO claimed
US-20200125564-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS OGEDA SA (BE) 2020-04-23 US disclosed
US-10544150-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders OGEDA SA (BE) 2020-01-28 US disclosed
US-10065960-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders OGEDA SA (BE) 2018-09-04 US disclosed
US-20180194772-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS OGEDA SA (BE) 2018-07-12 US disclosed
US-9926325-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders OGEDA SA (BE) 2018-03-27 US disclosed
EP-3176171-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS OGEDA SA (BE) 2017-06-07 EP disclosed
EP-2552920-B1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS OGEDA SA (BE) 2017-03-15 EP disclosed
US-8871761-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders EUROSCREEN S.A. (BE) 2014-10-28 US disclosed
EP-2552920-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS Euroscreen S.A. (BE) 2013-02-06 EP disclosed
US-20130023530-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS EUROSCREEN S.A. (BE) 2013-01-24 US disclosed
WO-2011121137-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS EUROSCREEN S.A. (BE) 2011-10-06 WO disclosed
US-7348339-B2 2-(4-amino-furazan-3-yl)-1-ethyl-N-[(2R)-2-morpholinylmethyl]-1H-imidazo[4,5-c]pyridine-7-carboxamide; Mitogen- and Stress-Activated Protein (MSK) and Rho (guanosine triphosphate) 1 or 2 kinase inhibitor; neurodegenerative diaeases; antiinflammatory, anticarcinogenic, antiviral and antibacterial agent GLAXO GROUP LIMITED (GB) 2008-03-25 US disclosed
EP-0071926-B1 NEW RIBOFURANURONIC ACID DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-08 EP disclosed
US-4479942-A Tetrahydrofurnancarboxylic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-30 US disclosed
EP-0071926-A1 New ribofuranuronic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-02-16 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 (5 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-10065960-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders BDKRB2, ACKR3, KLRK1 CA1 4124/4885CA2 3028/4885CA7 3047/4885
US-20180194772-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS ACKR3, BDKRB2, GPR3 CA1 4305/4885CA2 2835/4885CA7 3491/4885
US-20050197328-A1 Imidazopyridine derivatives as kinase inhibitors NR4A3, XDH, MAPK8 CA1 2261/4885CA2 747/4885CA7 951/4885
US-20130023530-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS ACKR3, BDKRB2, GPR3 CA1 4305/4885CA2 2835/4885CA7 3491/4885
US-10544150-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders BDKRB2, ACKR3, KLRK1 CA1 4124/4885CA2 3028/4885CA7 3047/4885

“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.