SCHEMBL5168903

SCHEMBL5168903

CS(=O)(=O)Nn1c(=O)[nH]c2cc([N+](=O)[O-])c(-n3cnc(Br)c3)cc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.35
GRIA1 P42261 2/20 0.35
GRIA2 P42262 2/20 0.35
GRIA3 P42263 2/20 0.35
GRIA4 P48058 2/20 0.35
GRIK2 Q13002 2/20 0.35
GRIK3 Q13003 2/20 0.35
GRIK4 Q16099 2/20 0.35
GRIK5 Q16478 2/20 0.35
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34

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
SCHEMBL5169223 0.90 GRIA1 (0.38) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL5166749 0.88 GRIA1 (0.37) GRIA1GRIA2GRIA3GRIA4
SCHEMBL5182464 0.85 PTGS2 (0.38) GRIA1GRIA2GRIA3GRIA4
SCHEMBL5190085 0.85 GRIA1 (0.39) GRIA1GRIA2GRIA3GRIA4
SCHEMBL5165979 0.84 GRIA1 (0.34) GRIA1GRIA2GRIA3GRIA4
SCHEMBL5455598 0.83 GRIK1 (0.51) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL5166038 0.83 CA12 (0.47) GRIA1GRIA2GRIA3GRIA4CA12
SCHEMBL5465986 0.83 GRIK1 (0.55) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL5469141 0.83 TLR2 (0.36)
SCHEMBL5168343 0.81 GRIA1 (0.37) GRIA1GRIA2GRIA3GRIA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773788-B1 Quinazoline derivatives NOVARTIS AG (CH) 2012-11-14 EP claimed
US-8299085-B2 Quinazoline derivatives NOVARTIS AG (CH) 2012-10-30 US claimed
EP-1773788-B1 Quinazoline derivatives NOVARTIS AG (CH) 2012-11-14 EP disclosed
US-8299085-B2 Quinazoline derivatives NOVARTIS AG (CH) 2012-10-30 US disclosed
US-8299085-B2 Quinazoline derivatives NOVARTIS AG (CH) 2012-10-30 US disclosed
US-8299085-B2 Quinazoline derivatives NOVARTIS AG (CH) 2012-10-30 US disclosed
US-20070208018-A1 Quinazoline Derivatives NOVARTIS AG (CH) 2007-09-06 US disclosed
US-20070208018-A1 Quinazoline Derivatives NOVARTIS AG (CH) 2007-09-06 US disclosed
US-20070208018-A1 Quinazoline Derivatives NOVARTIS AG (CH) 2007-09-06 US disclosed
EP-1773788-A2 QUINAZOLINE DERIVATIVES NOVARTIS-PHARMA GMBH (AT) 2007-04-18 EP disclosed
EP-1300405-B1 AMINO ALCOHOL DERIVATIVES SANKYO CO (JP) 2007-04-18 EP disclosed
WO-2006010591-A2 QUINAZOLINE DERIVATIVES NOVARTIS AG (CH) 2006-02-02 WO disclosed
US-6964976-B2 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2005-11-15 US disclosed
US-20040132784-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-08 US disclosed
US-6723745-B2 PREVENTION OR TREATMENT OF AUTOIMMUNE DISEASE IN WARM BLOODED ANIMAL SANKYO COMPANY, LIMITED (JP) 2004-04-20 US disclosed
US-20030236297-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2003-12-25 US disclosed
EP-1300405-A1 AMINO ALCOHOL DERIVATIVES Sankyo Company, Limited (JP) 2003-04-09 EP 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-20030236297-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A GRIK1 627/4885GRIA1 76/4885GRIA2 294/4885
US-20070208018-A1 Quinazoline Derivatives CYP3A5, CYP3A7, CYP3A4 GRIK1 1410/4885GRIA1 1557/4885GRIA2 1114/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A GRIK1 627/4885GRIA1 76/4885GRIA2 294/4885

“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.