SCHEMBL2976406

SCHEMBL2976406

O=C(O)c1ccc2c(c1)C(=O)N=NC2=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.55
PTPRC P08575 2/20 0.53
POLB P06746 4/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 1/20 0.45
HPGD P15428 3/20 0.45
MEN1 O00255 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CDC25A P30304 1/20 0.45
CDC25B P30305 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL3380503 0.88 TTR (0.55) TTRPTPRCPOLBKMT2AALDH1A1
SCHEMBL8432111 0.77 TTR (0.49) TTRPTPRCPOLBKMT2AALDH1A1
SCHEMBL68062 0.77 PTPRC (0.72) TTRPTPRCPOLBKMT2AHPGD
SCHEMBL69805 0.77 PTPRC (0.72) TTRPTPRCPOLBKMT2AHPGD
SCHEMBL31686219 0.76 PTPRC (0.84) TTRPTPRCPOLBKMT2AALDH1A1
SCHEMBL71021 0.76 TTR (0.88) TTRPTPRCPOLBKMT2AALDH1A1
SCHEMBL31086890 0.76 TTR (0.80) TTRPTPRCPOLBKMT2AALDH1A1
SCHEMBL598301 0.76 TTR (0.88) TTRPTPRCPOLBKMT2AALDH1A1
SCHEMBL600296 0.76 TTR (0.80) TTRPTPRCPOLBKMT2AALDH1A1
SCHEMBL31436145 0.76 TTR (0.88) TTRPTPRCPOLBKMT2AALDH1A1

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 20 patents. 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-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
EP-1655301-B1 CYCLIC BIOISOSTERS OF PURINE SYSTEM DERIVATIVES AND A PHARMACEUTICAL COMPOSITION BASED THEREON ZHILOV VALERY KHAZHMURATOVICH (RU) 2015-03-11 EP disclosed
US-8592421-B2 Cyclic bioisosters of purine system derivatives and a pharmaceutical composition based thereon Zhilov, Valery Khazhmuratovich (RU) 2013-11-26 US disclosed
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 disclosed
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 disclosed
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 disclosed
EP-1655028-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) 2009-05-13 EP disclosed
US-20080194501-A1 Cyclic Bioisosters of Derivatives of a Purine System and Pharmaceutical Composition Based Thereon ZHILOV, VALERY KHAZHMURATOVICH (RU) 2008-08-14 US disclosed
US-20070166547-A1 Use of a layer consisting of hydrophobic linear, or two-dimensional polycyclic aromatics as a barrier layer or an encapsulation and electric components constructed with a layer of this type and comprising organic polymers TECHNISCHE UNIVERSITAT BRAUNSCHWEIG CAROLO-WILHELMINA (DE) 2007-07-19 US disclosed
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 disclosed
EP-1655301-A1 CYCLIC BIOISOSTERS OF PURINE SYSTEM DERIVATIVES AND A PHARMACEUTICAL COMPOSITION BASED THEREON Zhilov, Valery Khazhmuratovich (RU) 2006-05-10 EP disclosed
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 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 (2 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 TTR 3015/4885PTPRC 2476/4885POLB 1144/4885
US-20080194501-A1 Cyclic Bioisosters of Derivatives of a Purine System and Pharmaceutical Composition Based Thereon ADORA3, ADORA2A, ADORA2B TTR 3228/4885PTPRC 2304/4885POLB 2488/4885

“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.