SCHEMBL4996764

SCHEMBL4996764

NCC(CN)c1ccc(N)c(C2=CCCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 6/20 0.39
HDAC1 Q13547 5/20 0.35
HDAC2 Q92769 5/20 0.35
HDAC3 O15379 2/20 0.35
CSF1R P07333 1/20 0.33
RPS6KB1 P23443 1/20 0.33
PTGS2 P35354 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL5003020 0.87 PSMB5 (0.38) PSMB5HDAC1HDAC2HDAC3CSF1R
SCHEMBL3081145 0.82 PSMB5 (0.56) PSMB5HDAC1HDAC2HDAC3PTGS2
SCHEMBL4996759 0.80 GRM2 (0.38) PSMB5HDAC1HDAC2HDAC3CSF1R
SCHEMBL1859393 0.79 CSF1R (0.54) PSMB5HDAC1HDAC2HDAC3CSF1R
SCHEMBL16387219 0.74 HDAC2 (0.52) HDAC1HDAC2HDAC3PTGS2
SCHEMBL23140036 0.73 HDAC1 (0.42) PSMB5HDAC1HDAC2HDAC3PTGS2
SCHEMBL3076851 0.73 PSMB5 (0.51) PSMB5HDAC1HDAC2HDAC3PTGS2
SCHEMBL10583976 0.73 CYP3A4 (0.40) PSMB5HDAC1HDAC2HDAC3
SCHEMBL1858668 0.73 HDAC2 (0.42) PSMB5HDAC1HDAC2HDAC3CSF1R
SCHEMBL12381881 0.72 HDAC2 (0.43) PSMB5HDAC1HDAC2HDAC3CSF1R

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-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-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-8759347-B2 Inhibitors of C-FMS kinase JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US disclosed
US-20130281475-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2013-10-24 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-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 (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-20130281475-A1 INHIBITORS OF C-FMS KINASE MUSK, FRK, FES PSMB5 2565/4885HDAC1 1847/4885HDAC2 2650/4885
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 PSMB5 2585/4885HDAC1 788/4885HDAC2 820/4885
US-20150051196-A1 INHIBITORS OF C-FMS KINASE MUSK, FRK, FES PSMB5 2565/4885HDAC1 1847/4885HDAC2 2650/4885
US-20140243382-A1 INHIBITORS OF C-FMS KINASE MUSK, FRK, FES PSMB5 2565/4885HDAC1 1847/4885HDAC2 2650/4885
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 PSMB5 2344/4885HDAC1 809/4885HDAC2 886/4885

“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.