SCHEMBL2303102

SCHEMBL2303102

O=c1nc(O)c2ncccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.49
KCNMA1 Q12791 2/20 0.46
DAO P14920 3/20 0.44
KDM4E B2RXH2 4/20 0.43
ADORA3 P0DMS8 3/20 0.42
ADORA2A P29274 2/20 0.42
ADORA1 P30542 1/20 0.41
NUDT1 P36639 1/20 0.41
PDE5A O76074 1/20 0.41
TSHR P16473 3/20 0.40
MMP2 P08253 2/20 0.40
CHRM1 P11229 1/20 0.40
COMT P21964 1/20 0.40
ADRA1A P35348 1/20 0.40
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
ALOX12 P18054 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL28986906 0.79 PARP1 (0.49) PARP1KCNMA1DAOKDM4EADORA3
SCHEMBL1983703 0.79 PARP1 (0.49) PARP1KCNMA1KDM4EADORA3ADORA2A
SCHEMBL3817890 0.79 PARP1 (0.49) PARP1KCNMA1DAOKDM4EADORA3
SCHEMBL28893532 0.79 PARP1 (0.49) PARP1KCNMA1DAOKDM4EADORA3
SCHEMBL18237558 0.75 PARP1 (0.45) PARP1KCNMA1KDM4EADORA3ADORA2A
SCHEMBL1681360 0.75 PARP1 (0.45) PARP1KCNMA1DAOKDM4EADORA3
SCHEMBL1326106 0.73 PARP1 (0.44) PARP1KCNMA1KDM4EADORA3ADORA2A
SCHEMBL15375729 0.73 CYP3A4 (0.42) PARP1KCNMA1KDM4EADORA3NUDT1
Benzoylenurea SCHEMBL29947820 0.72 ALDH1A1 (0.58) PARP1DAOKDM4EADORA3TSHR
Benzoylenurea SCHEMBL357451 0.72 ALDH1A1 (0.58) PARP1DAOKDM4EADORA3TSHR

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240299393-A1 SMALL MOLECULE DISRUPTORS OF PROTEIN INTERACTIONS IN HISTONE DEACETYLASE COMPLEXES UNIVERSITY OF LIEGE (BE) 2024-09-12 US disclosed
WO-2022266473-A1 SMALL MOLECULE DISRUPTORS OF PROTEIN INTERACTIONS IN HISTONE DEACETYLASE COMPLEXES DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-12-22 WO disclosed
US-9163018-B2 Method of treatment of age-related macular degeneration (AMD) PRANA BIOTECHNOLOGY INC. (AU) 2015-10-20 US disclosed
EP-2539336-B1 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GMBH (DE) 2014-10-22 EP disclosed
US-8815893-B2 Hetarylaminonaphthyridines MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
US-20140088122-A1 METHOD OF TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) PRANA BIOTECHNOLOGY LIMITED (AU) 2014-03-27 US disclosed
EP-2539336-A2 HETARYLAMINONAPHTHYRIDINES Merck Patent GmbH (DE) 2013-01-02 EP disclosed
US-20120316166-A1 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-13 US disclosed
WO-2011101069-A2 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GMBH (DE) 2011-08-25 WO disclosed
US-20110071167-A1 METHOD OF TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) PRANA BIOTECHNOLOGY LIMITED (AU) 2011-03-24 US disclosed
EP-2210892-A2 Neurologically-active compounds Prana Biotechnology Limited (AU) 2010-07-28 EP disclosed
US-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LIMITED (AU) 2010-06-24 US disclosed
US-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LIMITED (AU) 2010-06-24 US disclosed
US-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LIMITED (AU) 2010-06-24 US disclosed
US-20100144693-A1 METHOD OF TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) PRANA BIOTECHNOLOGY LIMITED (AU) 2010-06-10 US disclosed
US-7692011-B2 8-hydroxy and 8-mercapto quinazolinones PRANA BIOTECHNOLOGY LIMITED (AU) 2010-04-06 US disclosed
US-7692011-B2 8-hydroxy and 8-mercapto quinazolinones PRANA BIOTECHNOLOGY LIMITED (AU) 2010-04-06 US disclosed
US-7692011-B2 8-hydroxy and 8-mercapto quinazolinones PRANA BIOTECHNOLOGY LIMITED (AU) 2010-04-06 US disclosed
US-20060167000-A1 Neurologically-active compounds PRANA BIOTECHNOLOGY LIMITED (AU) 2006-07-27 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 (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-20060167000-A1 Neurologically-active compounds ACHE, PSEN1, PSEN2 PARP1 2866/4885KCNMA1 663/4885DAO 1162/4885
US-20140088122-A1 METHOD OF TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) ALDH1A2, AGER, PDE6C PARP1 1203/4885KCNMA1 3974/4885DAO 1648/4885
US-20240299393-A1 SMALL MOLECULE DISRUPTORS OF PROTEIN INTERACTIONS IN HISTONE DEACETYLASE COMPLEXES HDAC1, HDAC6, HDAC10 PARP1 1520/4885KCNMA1 4023/4885DAO 4020/4885
US-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS ACHE, PSEN1, PSEN2 PARP1 3308/4885KCNMA1 655/4885DAO 1175/4885
US-20100144693-A1 METHOD OF TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) ALDH1A2, AGER, PDE6C PARP1 1203/4885KCNMA1 3974/4885DAO 1648/4885
US-20120316166-A1 HETARYLAMINONAPHTHYRIDINES ATP5ME, ATP5F1A, ATP5F1D PARP1 605/4885KCNMA1 3198/4885DAO 2609/4885
US-20110071167-A1 METHOD OF TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) ALDH1A2, AGER, PDE6C PARP1 1203/4885KCNMA1 3974/4885DAO 1648/4885

“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.