SCHEMBL5166827

SCHEMBL5166827

CS(=O)(=O)Nn1c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccc(C=O)c3)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 10/20 0.38
GRIA2 P42262 10/20 0.38
GRIA3 P42263 10/20 0.38
GRIA4 P48058 10/20 0.38
GRIK1 P39086 3/20 0.38
GRIK2 Q13002 3/20 0.38
GRIK3 Q13003 3/20 0.38
GRIK4 Q16099 3/20 0.38
GRIK5 Q16478 3/20 0.38
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 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
SCHEMBL5167321 0.84 GRIA1 (0.46) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL5455598 0.84 GRIK1 (0.51) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL5165484 0.83 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL13825596 0.81 GRIA1 (0.45) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL5169223 0.80 GRIA1 (0.38) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL5465986 0.80 GRIK1 (0.55) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL5168903 0.79 GRIK1 (0.35) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL5182464 0.78 PTGS2 (0.38) GRIA1GRIA2GRIA3GRIA4
SCHEMBL5179236 0.77 MAPT (0.43) CA12CA9
SCHEMBL5179781 0.77 MAPT (0.46)

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 12 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
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
WO-2006010591-A2 QUINAZOLINE DERIVATIVES NOVARTIS AG (CH) 2006-02-02 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 (1 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-20070208018-A1 Quinazoline Derivatives CYP3A5, CYP3A7, CYP3A4 GRIA1 1557/4885GRIA2 1114/4885GRIA3 1120/4885

“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.