SCHEMBL2229694

SCHEMBL2229694

Nc1cccc2c1C(=O)N=NC2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.50
PTPRC P08575 1/20 0.50
PABPC1 P11940 2/20 0.47
HSPA1A P0DMV8 1/20 0.47
CSNK1A1 P48729 2/20 0.45
CSNK1D P48730 2/20 0.45
CSNK1G1 Q9HCP0 2/20 0.45
MAOA P21397 2/20 0.45
FGR P09769 1/20 0.45
PIM1 P11309 1/20 0.45
DYRK1A Q13627 1/20 0.45
HIPK2 Q9H2X6 1/20 0.45
DPP4 P27487 1/20 0.44
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 6/20 0.37
MEN1 O00255 5/20 0.37
POLB P06746 3/20 0.37
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL7222595 0.83 ADORA2A (0.50) ADORA2APTPRCPABPC1HSPA1ACSNK1A1
SCHEMBL194707 0.78 ADORA2A (0.41) ADORA2APTPRCPABPC1HSPA1ACSNK1A1
SCHEMBL2961474 0.74 MAOA (0.56) MAOADPP4ALDH1A1L3MBTL1KMT2A
SCHEMBL64318 0.72 ADORA2A (0.86) ADORA2APTPRCPABPC1HSPA1ACSNK1A1
SCHEMBL29944895 0.72 ADORA2A (0.86) ADORA2APTPRCPABPC1HSPA1ACSNK1A1
SCHEMBL5866516 0.72 ADORA2A (0.71) ADORA2APTPRCPABPC1HSPA1ACSNK1A1
SCHEMBL21840830 0.72 ADORA2A (0.78) ADORA2APTPRCPABPC1HSPA1ACSNK1A1
SCHEMBL29714477 0.70 MEN1 (0.50) PTPRCMAOAALDH1A1L3MBTL1KMT2A
SCHEMBL112133 0.70 MEN1 (0.50) PTPRCMAOAALDH1A1L3MBTL1KMT2A
Hydrochloric Acid SCHEMBL8643197 0.70 ADORA2A (0.83) ADORA2APTPRCPABPC1HSPA1ACSNK1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1655301-B1 CYCLIC BIOISOSTERS OF PURINE SYSTEM DERIVATIVES AND A PHARMACEUTICAL COMPOSITION BASED THEREON ZHILOV VALERY KHAZHMURATOVICH (RU) 2015-03-11 EP claimed
US-8592421-B2 Cyclic bioisosters of purine system derivatives and a pharmaceutical composition based thereon Zhilov, Valery Khazhmuratovich (RU) 2013-11-26 US claimed
EP-2074998-B1 Use of cyclic bioisosteres of purine system derivatives for the treatment of diseases caused by disorders of nitrergic and dopaminergic systems ZHILOV VALERY KHAZHMURATOVICH (RU) 2013-10-16 EP claimed
US-7776833-B2 Use of cyclic bioisosters of purine system derivatives for treating diseases produced by disorders of niterergic and dopaminergic systems Zhilov, Valery Khazhmuratovich (RU) 2010-08-17 US claimed
EP-2074998-A2 Use of cyclic bioisosteres of purine system derivatives for the treatment of diseases caused by disorders of nitrergic and dopaminergic systems Zhilov, Valery Khazhmuratovich (RU) 2009-07-01 EP claimed
US-20080194501-A1 Cyclic Bioisosters of Derivatives of a Purine System and Pharmaceutical Composition Based Thereon ZHILOV, VALERY KHAZHMURATOVICH (RU) 2008-08-14 US claimed
US-7326690-B2 Modulation of cell fates and activities by phthalazinediones BACH PHARMA, INC. (US) 2008-02-05 US claimed
US-20070142303-A1 Modulation of cell fates and activities by phthalazinediones BACH PHARMA, INC. (US) 2007-06-21 US claimed
US-20070135636-A1 Use of cyclic bioisosters of purine system derivatives for treating diseases produced by disorders of niterergic and dopaminergic systems VALERY KHAZHMURATOVICH ZHILOV (RU) 2007-06-14 US claimed
EP-1655301-A1 CYCLIC BIOISOSTERS OF PURINE SYSTEM DERIVATIVES AND A PHARMACEUTICAL COMPOSITION BASED THEREON Zhilov, Valery Khazhmuratovich (RU) 2006-05-10 EP claimed
EP-1655028-A2 USE OF CYCLIC BIOISOSTERES OF PURINE SYSTEM DERIVATIVES FOR THE TREATMENT OF DISEASES CAUSED BY DISORDERS OF NITRERGIC AND DOPAMINERGIC SYSTEMS Zhilov, Valery Khazhmuratovich (RU) 2006-05-10 EP claimed
US-20180153889-A1 MODULATION OF CELL FATES AND ACTIVITIES BY PHTHALAZINEDIONES BACH PHARMA, INC. 2018-06-07 US disclosed
US-9968602-B2 Modulation of cell fates and activities by phthalazinediones BACH PHARMA, INC. (US) 2018-05-15 US disclosed
US-9732043-B2 Process for preparing 5-amino-2,3-dihydrophthalazine-1,4-dione monosodium salt BACH PHARMA, INC. (US) 2017-08-15 US disclosed
EP-2393361-B1 PHARMACEUTICAL GRADE PHTHALAZINEDIONES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BACH PHARMA INC (US) 2016-12-07 EP disclosed
WO-2003014090-A1 AMINO-PHTHALAZINONE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO disclosed
US-4334069-A Chemiluminescent phthalhydrazide-labeled hapten conjugates MILES LABORATORIES, INC. (US) 1982-06-08 US disclosed
US-4297273-A MEDICAL DIAGNOSIS; IMMUNOASSAY MILES LABORATORIES, INC. (US) 1981-10-27 US disclosed
US-4226993-A INTERMEDIATES FOR CHEMILUMINESCENT LABELED CONJUGATES MILES LABORATORIES, INC. (US) 1980-10-07 US disclosed
US-4212805-A INTERMEDIATES OF PHTHALHYDRAZIDE-LABELED CONJUGATES MILES LABORATORIES, INC. (US) 1980-07-15 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 (3 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-20070135636-A1 Use of cyclic bioisosters of purine system derivatives for treating diseases produced by disorders of niterergic and dopaminergic systems ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885PTPRC 2476/4885PABPC1 2727/4885
US-20180153889-A1 MODULATION OF CELL FATES AND ACTIVITIES BY PHTHALAZINEDIONES NFE2L2, GPX4, TXNRD2 ADORA2A 4328/4885PTPRC 300/4885PABPC1 3052/4885
US-20080194501-A1 Cyclic Bioisosters of Derivatives of a Purine System and Pharmaceutical Composition Based Thereon ADORA3, ADORA2A, ADORA2B ADORA2A 2/4885PTPRC 2304/4885PABPC1 1636/4885

“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.