SCHEMBL2913662

SCHEMBL2913662

Cc1cscc1-c1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 7/20 0.59
MAPT P10636 4/20 0.59
ALDH1A1 P00352 3/20 0.58
HTR6 P50406 6/20 0.55
L3MBTL1 Q9Y468 2/20 0.53
MAPK1 P28482 1/20 0.53
HPGD P15428 1/20 0.51
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL5074821 0.86 MAPT (0.57) SIRT6MAPTALDH1A1HTR6L3MBTL1
SCHEMBL4639578 0.86 HPGD (0.47) SIRT6MAPTALDH1A1HTR6L3MBTL1
SCHEMBL2908099 0.84 SIRT6 (0.60) SIRT6MAPTALDH1A1HTR6L3MBTL1
SCHEMBL2910262 0.81 MAPT (0.58) SIRT6MAPTALDH1A1HTR6L3MBTL1
SCHEMBL170932 0.81 HPGD (0.75) SIRT6MAPTALDH1A1HTR6L3MBTL1
SCHEMBL30900326 0.78 SIRT6 (0.67) SIRT6MAPTALDH1A1HTR6L3MBTL1
SCHEMBL1527190 0.78 SIRT6 (0.67) SIRT6MAPTALDH1A1HTR6L3MBTL1
SCHEMBL27997682 0.78 SIRT6 (0.75) SIRT6MAPTALDH1A1HTR6L3MBTL1
SCHEMBL30532598 0.78 SIRT6 (0.75) SIRT6MAPTALDH1A1HTR6L3MBTL1
SCHEMBL2907550 0.78 GAA (0.59) SIRT6MAPTALDH1A1L3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9526731-B2 Method of inhibiting C-KIT kinase JANSSEN PHARMACEUTICA NV (BE) 2016-12-27 US disclosed
US-9526731-B2 Method of inhibiting C-KIT kinase JANSSEN PHARMACEUTICA NV (BE) 2016-12-27 US disclosed
EP-1807077-B1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2016-11-23 EP disclosed
US-20150094520-A1 METHOD OF INHIBITING C-KIT KINASE JANSSEN PHARMACEUTICA NV (BE) 2015-04-02 US disclosed
US-20150094520-A1 METHOD OF INHIBITING C-KIT KINASE JANSSEN PHARMACEUTICA NV (BE) 2015-04-02 US disclosed
US-8933091-B2 Method of inhibiting C-KIT kinase JANSSEN PHARMACEUTICA NV (BE) 2015-01-13 US disclosed
US-8933091-B2 Method of inhibiting C-KIT kinase JANSSEN PHARMACEUTICA NV (BE) 2015-01-13 US disclosed
US-8697716-B2 Method of inhibiting C-KIT kinase JANSSEN PHARMACEUTICA NV (BE) 2014-04-15 US disclosed
US-20140005225-A1 METHOD OF INHIBITING C-KIT KINASE JANSSEN PHARMACEUTICA NV (BE) 2014-01-02 US disclosed
EP-2397138-B1 Aromatic amide derivatives as C-KIT kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-12-11 EP disclosed
WO-2007124369-A2 METHOD OF INHIBITING C KIT KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-01 WO disclosed
EP-1807077-A2 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-18 EP disclosed
US-20070149572-A1 METHOD OF INHIBITING FLT3 KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-28 US disclosed
US-20070149572-A1 METHOD OF INHIBITING FLT3 KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-28 US disclosed
WO-2007048088-A2 METHOD OF INHIBITING FLT3 KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-26 WO disclosed
WO-2006138155-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING A FLT3 INHIBITOR AND A FARNESYL TRANSFERASE INHIBITOR JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-28 WO disclosed
US-20060281788-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING A FLT3 INHIBITOR AND A FARNESYL TRANSFERASE INHIBITOR JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-14 US disclosed
US-20060189623-A1 Inhibitors of c-fms kinase ILLIG CARL R 2006-08-24 US disclosed
US-20060148812-A1 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-06 US disclosed
WO-2006047277-A2 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-04 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 (6 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-20060189623-A1 Inhibitors of c-fms kinase MUSK, TYK2, FES SIRT6 4653/4885MAPT 147/4885ALDH1A1 4789/4885
US-20140005225-A1 METHOD OF INHIBITING C-KIT KINASE KIT, CHUK, MAP3K13 SIRT6 2277/4885MAPT 257/4885ALDH1A1 2215/4885
US-20060281788-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING A FLT3 INHIBITOR AND A FARNESYL TRANSFERASE INHIBITOR FLT3, MCL1, CSF1R SIRT6 1407/4885MAPT 4541/4885ALDH1A1 1900/4885
US-20060148812-A1 Inhibitors of c-fms kinase MUSK, TYK2, FES SIRT6 4653/4885MAPT 147/4885ALDH1A1 4789/4885
US-20070149572-A1 METHOD OF INHIBITING FLT3 KINASE FLT3, PLK1, PHKG1 SIRT6 2170/4885MAPT 850/4885ALDH1A1 2471/4885
US-20150094520-A1 METHOD OF INHIBITING C-KIT KINASE KIT, CHUK, MAP3K13 SIRT6 2277/4885MAPT 257/4885ALDH1A1 2215/4885

“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.