SCHEMBL1855586

SCHEMBL1855586

CC(C)(C)OC(=O)Nc1ccc(C(CN)CN)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.49
PSMB8 P28062 1/20 0.44
NAMPT P43490 1/20 0.44
MAPKAPK2 P49137 6/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
MAP4K4 O95819 1/20 0.43
PTPN11 Q06124 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
DRD2 P14416 1/20 0.41
MAPK14 Q16539 1/20 0.41

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
SCHEMBL7605437 0.88 CYP17A1 (0.49) CYP17A1PSMB8NAMPTMAPKAPK2PTGDR2
SCHEMBL1864567 0.86 CYP17A1 (0.50) CYP17A1PSMB8NAMPTMAPKAPK2PTGDR2
SCHEMBL13055402 0.82 CYP17A1 (0.59) CYP17A1PSMB8NAMPTMAPKAPK2PTGDR2
SCHEMBL5106841 0.81 CYP17A1 (0.48) CYP17A1PSMB8NAMPTMAPKAPK2MAP4K4
SCHEMBL24263030 0.81 CYP17A1 (0.50) CYP17A1PSMB8NAMPTMAPKAPK2PTGDR2
SCHEMBL104556 0.81 RAB9A (0.55) CYP17A1PSMB8NAMPTCA1CA2
SCHEMBL7613210 0.80 CYP17A1 (0.50) CYP17A1PSMB8NAMPTMAPKAPK2PTGDR2
SCHEMBL27284560 0.80 CYP17A1 (0.49) CYP17A1PSMB8NAMPTMAPKAPK2MAP4K4
SCHEMBL27284495 0.80 CYP17A1 (0.49) CYP17A1PSMB8NAMPTMAPKAPK2MAP4K4
SCHEMBL13193491 0.80 CYP17A1 (0.52) CYP17A1PSMB8NAMPTMAPKAPK2PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296726-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2016-03-29 US disclosed
US-9296726-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2016-03-29 US disclosed
US-9296726-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2016-03-29 US disclosed
US-20150051196-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2015-02-19 US disclosed
US-20150051196-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2015-02-19 US disclosed
US-20150051196-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2015-02-19 US disclosed
US-8895584-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2014-11-25 US disclosed
US-8895584-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2014-11-25 US disclosed
US-8895584-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2014-11-25 US disclosed
US-20140243382-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2014-08-28 US disclosed
US-20080275031-A1 4-Cyano-1H-imidazole-2-carboxylic acid [2-cyclohex-1-enyl-4-(2,6-dioxo-piperidin-4-yl)-phenyl]-amide; tyrosine kinase inhibitor; autoimmune diseases, antiinflammatory, anticarcinogenic agent ILLIG CARL R 2008-11-06 US disclosed
US-20080275031-A1 4-Cyano-1H-imidazole-2-carboxylic acid [2-cyclohex-1-enyl-4-(2,6-dioxo-piperidin-4-yl)-phenyl]-amide; tyrosine kinase inhibitor; autoimmune diseases, antiinflammatory, anticarcinogenic agent ILLIG CARL R 2008-11-06 US disclosed
US-7414050-B2 e.g. 4-Cyano-1H-imidazole-2-carboxylic acid [2-cyclohex-1-enyl-4-(2,6-dioxo-piperidin-4-yl)-phenyl]-amide; tyrosine kinase inhibitor; autoimmune diseases, antiinflammatory, anticarcinogenic agent JANSSEN PHARMACEUTICA, N.V. (BE) 2008-08-19 US disclosed
US-7414050-B2 e.g. 4-Cyano-1H-imidazole-2-carboxylic acid [2-cyclohex-1-enyl-4-(2,6-dioxo-piperidin-4-yl)-phenyl]-amide; tyrosine kinase inhibitor; autoimmune diseases, antiinflammatory, anticarcinogenic agent JANSSEN PHARMACEUTICA, N.V. (BE) 2008-08-19 US disclosed
US-7414050-B2 e.g. 4-Cyano-1H-imidazole-2-carboxylic acid [2-cyclohex-1-enyl-4-(2,6-dioxo-piperidin-4-yl)-phenyl]-amide; tyrosine kinase inhibitor; autoimmune diseases, antiinflammatory, anticarcinogenic agent JANSSEN PHARMACEUTICA, N.V. (BE) 2008-08-19 US disclosed
WO-2007124316-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-01 WO disclosed
WO-2007124316-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-01 WO disclosed
US-20070249593-A1 e.g. 4-Cyano-1H-imidazole-2-carboxylic acid [2-cyclohex-1-enyl-4-(2,6-dioxo-piperidin-4-yl)-phenyl]-amide; tyrosine kinase inhibitor; autoimmune diseases, antiinflammatory, anticarcinogenic agent JANSSEN PHARMACEUTICA, N.V. (BE) 2007-10-25 US disclosed
US-20070249593-A1 e.g. 4-Cyano-1H-imidazole-2-carboxylic acid [2-cyclohex-1-enyl-4-(2,6-dioxo-piperidin-4-yl)-phenyl]-amide; tyrosine kinase inhibitor; autoimmune diseases, antiinflammatory, anticarcinogenic agent JANSSEN PHARMACEUTICA, N.V. (BE) 2007-10-25 US disclosed
US-20070249593-A1 e.g. 4-Cyano-1H-imidazole-2-carboxylic acid [2-cyclohex-1-enyl-4-(2,6-dioxo-piperidin-4-yl)-phenyl]-amide; tyrosine kinase inhibitor; autoimmune diseases, antiinflammatory, anticarcinogenic agent JANSSEN PHARMACEUTICA, N.V. (BE) 2007-10-25 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 (4 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-20070249593-A1 e.g. 4-Cyano-1H-imidazole-2-carboxylic acid [2-cyclohex-1-enyl-4-(2,6-dioxo-piperidin-4-yl)-phenyl]-amide; tyrosine kinase inhibitor; autoimmune diseases, antiinflammatory, anticarcinogenic agent MUSK, CHUK, PNCK CYP17A1 2939/4885PSMB8 2164/4885NAMPT 2672/4885
US-20150051196-A1 INHIBITORS OF C-FMS KINASE MUSK, FRK, FES CYP17A1 2766/4885PSMB8 3325/4885NAMPT 2897/4885
US-20140243382-A1 INHIBITORS OF C-FMS KINASE MUSK, FRK, FES CYP17A1 2766/4885PSMB8 3325/4885NAMPT 2897/4885
US-20080275031-A1 4-Cyano-1H-imidazole-2-carboxylic acid [2-cyclohex-1-enyl-4-(2,6-dioxo-piperidin-4-yl)-phenyl]-amide; tyrosine kinase inhibitor; autoimmune diseases, antiinflammatory, anticarcinogenic agent MUSK, CHUK, CAMK4 CYP17A1 2888/4885PSMB8 2366/4885NAMPT 1706/4885

“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.