SCHEMBL5166010

SCHEMBL5166010

COC(=O)c1cn(-c2cc3c(=O)n(NS(=O)(=O)c4ccccc4)c(=O)[nH]c3cc2C(F)(F)F)cn1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
ADORA3 P0DMS8 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL5167535 0.92 CA12 (0.45) CA12CA9GRIA1GRIA2GRIA3
SCHEMBL5165036 0.88 CA12 (0.46) CA12CA9MEN1KMT2AGRIA1
SCHEMBL5166733 0.88 RBP4 (0.35) ADORA3MEN1KMT2AGRIA1GRIA2
SCHEMBL13685430 0.88 CA12 (0.42) CA12CA9GRIA1GRIA2GRIA3
SCHEMBL13685370 0.86 CA12 (0.43) CA12CA9GRIA1GRIA2GRIA3
SCHEMBL5168639 0.81 CA12 (0.48) CA12CA9GRIA1GRIA2GRIA3
SCHEMBL5463670 0.79 GRIA1 (0.35) CA12CA9GRIA1GRIA2GRIA3
SCHEMBL5216319 0.79 CA12 (0.47) CA12CA9GRIA1GRIA2GRIA3
SCHEMBL5167753 0.78 CA12 (0.46) CA12CA9GRIA1GRIA2GRIA3
SCHEMBL5167723 0.77 CA12 (0.46) CA12CA9GRIA1GRIA2GRIA3

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 11 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
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 CA12 4138/4885CA9 2807/4885ADORA3 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.