SCHEMBL1661215

SCHEMBL1661215

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 1/20 0.40
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
HPGD P15428 4/20 0.33
HSD17B10 Q99714 4/20 0.33
ALDH1A1 P00352 4/20 0.33
GAA P10253 4/20 0.33
KDM4E B2RXH2 3/20 0.33
GLA P06280 3/20 0.33
MPO P05164 1/20 0.33
XDH P47989 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.31
TP53 P04637 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL961236 0.89 DDR1 (0.43) DDR1CA12CA9AR
SCHEMBL1660964 0.87 DDR1 (0.45) DDR1CA12CA9AR
SCHEMBL2389752 0.84 CA12 (0.39) DDR1CA12CA9MPOXDH
SCHEMBL2389692 0.84 CA12 (0.39) DDR1CA12CA9MPOXDH
SCHEMBL961805 0.84 CA12 (0.39) DDR1CA12CA9MPOXDH
SCHEMBL1660345 0.82 CA12 (0.38) DDR1CA12CA9MPOXDH
SCHEMBL1660919 0.82 CA12 (0.35) DDR1CA12CA9HPGDHSD17B10
SCHEMBL1661191 0.82 DDR1 (0.35) DDR1CA12CA9AR
SCHEMBL2597158 0.81 DDR1 (0.36) DDR1CA12CA9MPOXDH
SCHEMBL4627730 0.81 DDR1 (0.37) DDR1CA12CA9HPGDHSD17B10

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 50 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-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-7655666-B2 Substituted 1H-quinazoline-2,4-diones useful as AMPA receptor ligands NOVARTIS AG (CH) 2010-02-02 US disclosed
US-7655666-B2 Substituted 1H-quinazoline-2,4-diones useful as AMPA receptor ligands NOVARTIS AG (CH) 2010-02-02 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 DDR1 1011/4885CA12 2397/4885CA9 2844/4885
US-20130096145-A1 Use of 1H-quinazoline-2,4-diones GRM1, GRIK2, GRIK1 DDR1 2209/4885CA12 3842/4885CA9 4292/4885
US-20140018376-A1 Use of 1H-Quinazoline-2,4-Diones GRIK1, GRIK2, GRIK4 DDR1 1095/4885CA12 720/4885CA9 1726/4885
US-20140163050-A1 Use of 1H-quinazoline-2,4-diones GRIK2, GRIK1, GRIK4 DDR1 1011/4885CA12 2397/4885CA9 2844/4885
US-20120122903-A1 1-H-QUINAZOLINE-2, 4-DIONES FOR USE IN THE TREATMENT OF NEURONAL CEROID LIPOFUSCINOSIS CLN6, GBA1, GBA2 DDR1 2239/4885CA12 4310/4885CA9 4490/4885
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 DDR1 3161/4885CA12 3261/4885CA9 3458/4885
US-20130296332-A1 1H-QUINAZOLINE-2,4-DIONES CYP1A2, QDPR, CYP3A7 DDR1 2722/4885CA12 3678/4885CA9 2529/4885

“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.