SCHEMBL2389504

SCHEMBL2389504

COC(=O)c1cc(-c2cccc(C#N)c2)c(C(F)(F)F)cc1NC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.47
CFTR P13569 3/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MCHR1 Q99705 1/20 0.40
WDR5 P61964 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
PDK2 Q15119 2/20 0.38
PDK1 Q15118 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
ADORA2A P29274 1/20 0.37
CHRM3 P20309 1/20 0.36
AR P10275 1/20 0.36
MAPK14 Q16539 1/20 0.36
TOP2A P11388 1/20 0.36
PTPN5 P54829 1/20 0.36

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
SCHEMBL2390076 0.84 CFTR (0.64) RORCCFTRPTGDR2ALDH1A1MAPT
SCHEMBL9942858 0.84 CFTR (0.53) RORCCFTRKDM4EALDH1A1LMNA
SCHEMBL2389824 0.76 CFTR (0.44) CFTRKDM4EALDH1A1LMNAMAPT
SCHEMBL23541000 0.74 SLC6A4 (0.49) CFTRKDM4EALDH1A1LMNA
SCHEMBL29476278 0.74 SLC6A4 (0.49) CFTRKDM4EALDH1A1LMNA
SCHEMBL6164941 0.73 SLC6A3 (0.57) PTGDR2ALDH1A1MAPTPDK2CHRM3
SCHEMBL31350539 0.73 SMN1; SMN2 (0.48) KDM4EALDH1A1LMNAMAPT
SCHEMBL29654471 0.72 ABL1 (0.44) CFTRALDH1A1MAPTPDK2CHRM3
SCHEMBL24524870 0.72 ABL1 (0.44) CFTRALDH1A1MAPTPDK2CHRM3
SCHEMBL2389464 0.72 CFTR (0.43) CFTRKDM4EALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130296332-A1 1H-QUINAZOLINE-2,4-DIONES NOVARTIS AG (CH) 2013-11-07 US disclosed
US-20130296332-A1 1H-QUINAZOLINE-2,4-DIONES NOVARTIS AG (CH) 2013-11-07 US disclosed
US-20130296332-A1 1H-QUINAZOLINE-2,4-DIONES NOVARTIS AG (CH) 2013-11-07 US disclosed
US-8513268-B2 1H-quinazoline-2,4-diones processes for their production, pharmaceutical compositions, and treatment for epilepsy NOVARTIS AG (CH) 2013-08-20 US disclosed
US-8513268-B2 1H-quinazoline-2,4-diones processes for their production, pharmaceutical compositions, and treatment for epilepsy NOVARTIS AG (CH) 2013-08-20 US disclosed
US-8513268-B2 1H-quinazoline-2,4-diones processes for their production, pharmaceutical compositions, and treatment for epilepsy NOVARTIS AG (CH) 2013-08-20 US disclosed
EP-2476671-A1 1H-Quinazoline-2,4-diones Novartis AG (CH) 2012-07-18 EP disclosed
EP-2468732-A1 1H-Quinazoline-2,4-diones Novartis AG (CH) 2012-06-27 EP disclosed
EP-2463278-A1 1H-QUINAZ0LINE-2,4-DIONES AND THEIR USE AS AMPA-RECEPTOR LIGANDS Novartis AG (CH) 2012-06-13 EP disclosed
US-20110294818-A1 1H-QUINAZOLINE-2,4-DIONES NOVARTIS AG 2011-12-01 US disclosed
US-20100144747-A1 1H-QUINAZ0LINE-2,4-DIONES NOVARTIS AG 2010-06-10 US disclosed
US-20100144747-A1 1H-QUINAZ0LINE-2,4-DIONES NOVARTIS AG 2010-06-10 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-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
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 (4 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-20110294818-A1 1H-QUINAZOLINE-2,4-DIONES CYP1A2, QDPR, CYP3A7 RORC 1412/4885CFTR 1584/4885PTGDR2 200/4885
US-20100144747-A1 1H-QUINAZ0LINE-2,4-DIONES CYP3A7, CYP1A2, UGT1A7 RORC 1245/4885CFTR 1356/4885PTGDR2 622/4885
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 RORC 849/4885CFTR 1840/4885PTGDR2 209/4885
US-20130296332-A1 1H-QUINAZOLINE-2,4-DIONES CYP1A2, QDPR, CYP3A7 RORC 1412/4885CFTR 1584/4885PTGDR2 200/4885

“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.