SCHEMBL5166960

SCHEMBL5166960

CS(=O)(=O)Nn1c(=O)[nH]c2cc([N+](=O)[O-])c(-n3cccn3)cc2c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
MEN1 O00255 7/20 0.38
MAPT P10636 7/20 0.38
KMT2A Q03164 7/20 0.38
LMNA P02545 3/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HTT P42858 1/20 0.36
MDM2 Q00987 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
GRIK1 P39086 1/20 0.34
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
GRIA4 P48058 1/20 0.34
GRIK2 Q13002 1/20 0.34
GRIK3 Q13003 1/20 0.34
GRIK4 Q16099 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
SCHEMBL5462388 0.86 CA12 (0.35) CA12CA9GRIK1GRIA1GRIA2
SCHEMBL5455598 0.85 GRIK1 (0.51) CA12CA9GRIK1GRIA1GRIA2
SCHEMBL5167365 0.84 KMT2A (0.38) ALDH1A1MEN1MAPTKMT2ACA12
SCHEMBL5465986 0.82 GRIK1 (0.55) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL5462687 0.82 KDM4E (0.42) ALDH1A1MAPTCA12CA9GRIK1
SCHEMBL5179236 0.80 MAPT (0.43) ALDH1A1MAPTKMT2ALMNAHTT
SCHEMBL5179781 0.80 MAPT (0.46) ALDH1A1MAPTKMT2ALMNAHTT
SCHEMBL5169223 0.78 GRIA1 (0.38) CA12CA9GRIK1GRIA1GRIA2
SCHEMBL5167851 0.78 CA9 (0.40) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL5166002 0.78 CA12 (0.43) ALDH1A1MEN1MAPTKMT2ALMNA

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 7 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-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 ALDH1A1 460/4885MEN1 1459/4885MAPT 2053/4885

“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.