SCHEMBL1661230

SCHEMBL1661230

Cn1nccc1-c1cc2c(=O)n(NS(C)(=O)=O)c(=O)[nH]c2cc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
METAP2 P50579 1/20 0.39
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
HAVCR2 Q8TDQ0 1/20 0.34
SCN9A Q15858 4/20 0.34
LIPG Q9Y5X9 2/20 0.34
SCN5A Q14524 1/20 0.34
BDKRB2 P30411 1/20 0.32
ELANE P08246 1/20 0.32
DDR1 Q08345 1/20 0.32
BRD4 O60885 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
SCHEMBL1001057 0.93 CYP1A2 (0.36) CYP1A2METAP2CA12CA9HAVCR2
SCHEMBL1661031 0.89 CA12 (0.39) CA12CA9DDR1
SCHEMBL2597235 0.87 CCNK (0.35) CA12CA9DDR1
SCHEMBL1660573 0.87 CA12 (0.35) CA12CA9HAVCR2DDR1
SCHEMBL1692829 0.85 SCN9A (0.34) CA12CA9SCN9ALIPGDDR1
SCHEMBL1661264 0.85 HAVCR2 (0.34) CYP1A2METAP2HAVCR2BDKRB2BRD4
SCHEMBL1661254 0.85 HAVCR2 (0.34) CYP1A2METAP2HAVCR2SCN9ABRD4
SCHEMBL1663156 0.85 HAVCR2 (0.35) CYP1A2METAP2HAVCR2SCN9ABDKRB2
SCHEMBL1661007 0.84 IDH1 (0.35) CYP1A2METAP2HAVCR2BRD4
SCHEMBL12180687 0.84 PIK3CD (0.36) SCN9ADDR1

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140163050-A1 Use of 1H-quinazoline-2,4-diones JOHNS DONALD (US) 2014-06-12 US claimed
US-20140018376-A1 Use of 1H-Quinazoline-2,4-Diones ALLGEIER HANS (DE) 2014-01-16 US claimed
EP-2585070-A1 USE OF 1H-QUINAZOLINE-2,4-DIONES Novartis AG (CH) 2013-05-01 EP claimed
US-20130096145-A1 Use of 1H-quinazoline-2,4-diones NOVARTIS AG (CH) 2013-04-18 US claimed
US-20130090346-A1 Use of 1H-quinazoline-2,4-diones NOVARTIS AG (CH) 2013-04-11 US claimed
EP-2490691-A1 USE OF 1H-QUINAZOLINE-2,4-DIONES Novartis AG (CH) 2012-08-29 EP claimed
US-20120122903-A1 1-H-QUINAZOLINE-2, 4-DIONES FOR USE IN THE TREATMENT OF NEURONAL CEROID LIPOFUSCINOSIS NOVARTIS AG (CH) 2012-05-17 US claimed
WO-2011161249-A1 USE OF 1H-QUINAZOLINE-2,4-DIONES NOVARTIS AG (CH) 2011-12-29 WO claimed
WO-2011048150-A1 USE OF 1H-QUINAZOLINE-2,4-DIONES NOVARTIS AG (CH) 2011-04-28 WO claimed
US-7655666-B2 Substituted 1H-quinazoline-2,4-diones useful as AMPA receptor ligands NOVARTIS AG (CH) 2010-02-02 US claimed
US-20140163050-A1 Use of 1H-quinazoline-2,4-diones JOHNS DONALD (US) 2014-06-12 US disclosed
US-20140163050-A1 Use of 1H-quinazoline-2,4-diones JOHNS DONALD (US) 2014-06-12 US disclosed
US-20140018376-A1 Use of 1H-Quinazoline-2,4-Diones ALLGEIER HANS (DE) 2014-01-16 US disclosed
US-20140018376-A1 Use of 1H-Quinazoline-2,4-Diones ALLGEIER HANS (DE) 2014-01-16 US disclosed
US-20130296332-A1 1H-QUINAZOLINE-2,4-DIONES NOVARTIS AG (CH) 2013-11-07 US disclosed
US-20080153836-A1 N-(2,4-Dioxo-1,4-dihydro-2H-quinazolin-3-yl)-methanesulfonamide derivatives; condensation, cyclization, reduction; AMPA (A-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid) receptor antagonists; schizophrenia, bipolar disorders, Parkinson's Disease, antiepileptic agents; psychological disorders NOVARTIS AG (CH) 2008-06-26 US disclosed
US-20080153836-A1 N-(2,4-Dioxo-1,4-dihydro-2H-quinazolin-3-yl)-methanesulfonamide derivatives; condensation, cyclization, reduction; AMPA (A-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid) receptor antagonists; schizophrenia, bipolar disorders, Parkinson's Disease, antiepileptic agents; psychological disorders NOVARTIS AG (CH) 2008-06-26 US disclosed
US-20080153836-A1 N-(2,4-Dioxo-1,4-dihydro-2H-quinazolin-3-yl)-methanesulfonamide derivatives; condensation, cyclization, reduction; AMPA (A-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid) receptor antagonists; schizophrenia, bipolar disorders, Parkinson's Disease, antiepileptic agents; psychological disorders NOVARTIS AG (CH) 2008-06-26 US disclosed
EP-1871749-A1 1H-QUINAZ0LINE-2,4-DIONES AND THEIR USE AS AMPA-RECEPTOR LIGANDS Novartis AG (US) 2008-01-02 EP disclosed
WO-2006108591-A1 1H-QUINAZ0LINE-2,4-DIONES AND THEIR USE AS AMPA-RECEPTOR LIGANDS NOVARTIS AG (CH) 2006-10-19 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 (7 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-20130090346-A1 Use of 1H-quinazoline-2,4-diones GRIK2, GRIK1, GRIK4 CYP1A2 727/4885METAP2 2116/4885CA12 2397/4885
US-20130096145-A1 Use of 1H-quinazoline-2,4-diones GRM1, GRIK2, GRIK1 CYP1A2 3794/4885METAP2 2177/4885CA12 3842/4885
US-20140018376-A1 Use of 1H-Quinazoline-2,4-Diones GRIK1, GRIK2, GRIK4 CYP1A2 2771/4885METAP2 1596/4885CA12 720/4885
US-20140163050-A1 Use of 1H-quinazoline-2,4-diones GRIK2, GRIK1, GRIK4 CYP1A2 727/4885METAP2 2116/4885CA12 2397/4885
US-20120122903-A1 1-H-QUINAZOLINE-2, 4-DIONES FOR USE IN THE TREATMENT OF NEURONAL CEROID LIPOFUSCINOSIS CLN6, GBA1, GBA2 CYP1A2 4152/4885METAP2 1848/4885CA12 4310/4885
US-20080153836-A1 N-(2,4-Dioxo-1,4-dihydro-2H-quinazolin-3-yl)-methanesulfonamide derivatives; condensation, cyclization, reduction; AMPA (A-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid) receptor antagonists; schizophrenia, bipolar disorders, Parkinson's Disease, antiepileptic agents; psychological disorders GRIN2A, GRIN1, GRIN2D CYP1A2 1211/4885METAP2 4493/4885CA12 3261/4885
US-20130296332-A1 1H-QUINAZOLINE-2,4-DIONES CYP1A2, QDPR, CYP3A7 CYP1A2 1/4885METAP2 4440/4885CA12 3678/4885

“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.