SCHEMBL3526680

SCHEMBL3526680

CN1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.87

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 16/20 0.87
KCNH2 Q12809 15/20 0.87
HRH3 Q9Y5N1 1/20 0.77
SIGMAR1 Q99720 2/20 0.69
MAOA P21397 1/20 0.62

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
SCHEMBL2731306 0.93 KCNJ1 (1.00) KCNJ1KCNH2HRH3SIGMAR1MAOA
SCHEMBL5763269 0.89 KCNJ1 (0.84) KCNJ1KCNH2HRH3SIGMAR1MAOA
SCHEMBL4792525 0.87 KCNJ1 (0.66) KCNJ1KCNH2HRH3SIGMAR1MAOA
SCHEMBL3156895 0.87 HRH3 (1.00) KCNJ1KCNH2HRH3SIGMAR1MAOA
SCHEMBL5653299 0.87 HRH3 (0.93) KCNJ1KCNH2HRH3SIGMAR1MAOA
SCHEMBL2723230 0.86 KCNJ1 (0.84) KCNJ1KCNH2HRH3SIGMAR1MAOA
SCHEMBL286800 0.86 KCNJ1 (0.84) KCNJ1KCNH2HRH3SIGMAR1MAOA
SCHEMBL519334 0.85 KDM4E (0.67) KCNJ1KCNH2
SCHEMBL3156570 0.85 HRH3 (0.97) KCNJ1KCNH2HRH3SIGMAR1MAOA
SCHEMBL914324 0.85 HRH3 (0.97) KCNJ1KCNH2HRH3SIGMAR1MAOA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642270-B2 5-oxo-5,8-dihydro-pyrido-pyrimidine as inhibitors of c-fms kinase JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-05 US disclosed
EP-1937681-A1 5-OXO-5,8-DIHYDRO-PYRIDO-PYRIMIDINES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-02 EP disclosed
US-20080114007-A1 5-OXO-5,8-DIHYDRO-PYRIDO-PYRIMIDINES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-15 US disclosed
WO-2008055013-A2 5-OXO-5,8 - DIHYDRO - PYRIDO - PYRIMIDINES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-08 WO disclosed
WO-2007033232-A1 5-OXO-5,8-DIHYDRO-PYRIDO-PYRIMIDINES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA, N.V. (BE) 2007-03-22 WO disclosed
US-20070060577-A1 5-Oxo-5,8-dihydro-pyrido-pyrimidines as inhibitors of c-fms kinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-15 US disclosed
WO-2007018941-A2 PYRIMIDYL-THIOPHENE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO disclosed
US-20070037862-A1 inhibitors of polo-like kinases; (4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-[3-ethyl-4-oxo-5-[1-[3-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-meth-(E/Z)-ylidene]-thiazolidin-(2-(E or Z))-ylidene]-acetonitrile; cancer, auto-immune diseases, cardiovascular diseases BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 US disclosed
US-20070037862-A1 inhibitors of polo-like kinases; (4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-[3-ethyl-4-oxo-5-[1-[3-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-meth-(E/Z)-ylidene]-thiazolidin-(2-(E or Z))-ylidene]-acetonitrile; cancer, auto-immune diseases, cardiovascular diseases BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 US disclosed
CN-1902185-A Thiazolidinones, their production and use as pharmaceutical agents SCHERING AG (DE) 2007-01-24 CN 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 (3 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-20070037862-A1 inhibitors of polo-like kinases; (4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-[3-ethyl-4-oxo-5-[1-[3-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-meth-(E/Z)-ylidene]-thiazolidin-(2-(E or Z))-ylidene]-acetonitrile; cancer, auto-immune diseases, cardiovascular diseases PLK2, PLK4, PDXK KCNJ1 1530/4885KCNH2 2514/4885HRH3 4052/4885
US-20080114007-A1 5-OXO-5,8-DIHYDRO-PYRIDO-PYRIMIDINES AS INHIBITORS OF C-FMS KINASE FLT3, FES, ALK KCNJ1 4514/4885KCNH2 3089/4885HRH3 1544/4885
US-20070060577-A1 5-Oxo-5,8-dihydro-pyrido-pyrimidines as inhibitors of c-fms kinase FLT3, FES, FGR KCNJ1 4037/4885KCNH2 2366/4885HRH3 1310/4885

“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.