SCHEMBL2935698

SCHEMBL2935698

CN1CCN(c2ccc([N+](=O)[O-])c(C3=CCCCC3)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 7/20 0.56
MAPT P10636 2/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CSF1R P07333 1/20 0.49
KIT P10721 1/20 0.49
HTR6 P50406 6/20 0.49
ALOX12 P18054 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL22652059 0.96 SIRT6 (0.57) SIRT6MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL2908066 0.81 SIRT6 (0.54) SIRT6MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL31000464 0.81 SIRT6 (0.53) SIRT6MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL31000445 0.81 SIRT6 (0.53) SIRT6MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL3080128 0.79 MAPT (0.52) SIRT6MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL2912399 0.76 CSF1R (0.54) SIRT6MAPTMAPK1CSF1RKIT
SCHEMBL30532598 0.76 SIRT6 (0.75) SIRT6MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL27997682 0.76 SIRT6 (0.75) SIRT6MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL520215 0.75 SIRT6 (0.69) SIRT6MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL2908099 0.74 SIRT6 (0.60) SIRT6MAPTALDH1A1MAPK1L3MBTL1

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 54 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
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
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-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-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
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-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 (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-20060189623-A1 Inhibitors of c-fms kinase MUSK, TYK2, FES SIRT6 4653/4885MAPT 147/4885ALDH1A1 4789/4885
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.