SCHEMBL5469141

SCHEMBL5469141

COc1ccc(-c2cn(-c3cc4c(=O)n(NS(C)(=O)=O)c(=O)[nH]c4cc3[N+](=O)[O-])cn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 2/20 0.36
TLR1 Q15399 2/20 0.36
ADORA3 P0DMS8 1/20 0.34
MAPT P10636 3/20 0.33
PSD A5PKW4 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL5182464 0.90 PTGS2 (0.38) TLR2TLR1
SCHEMBL5166433 0.85 CA12 (0.42) TLR2TLR1ADORA3MAPTMEN1
SCHEMBL5169223 0.84 GRIA1 (0.38)
SCHEMBL5168903 0.83 GRIK1 (0.35)
SCHEMBL5190085 0.82 GRIA1 (0.39)
SCHEMBL5166749 0.80 GRIA1 (0.37)
SCHEMBL5165979 0.78 GRIA1 (0.34)
SCHEMBL5168348 0.77 CA12 (0.31)
SCHEMBL5168343 0.77 GRIA1 (0.37)
SCHEMBL5455598 0.77 GRIK1 (0.51)

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 9 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

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 TLR2 3794/4885TLR1 3599/4885ADORA3 469/4885

“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.