SCHEMBL2961522

SCHEMBL2961522

O=C1N=NC(=O)c2nccnc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TDP2 O95551 1/20 0.36
NSD2 O96028 1/20 0.36
ABL1 P00519 1/20 0.36
PLCG1 P19174 1/20 0.36
CES1 P23141 1/20 0.36
PAX8 Q06710 1/20 0.36
RIN1 Q13671 1/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.33
S100A4 P26447 3/20 0.32
CDC25B P30305 3/20 0.32
PTPRC P08575 2/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32

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
SCHEMBL30548303 0.83 ALDH1A1 (0.33) ALDH1A1TDP2NSD2ABL1PLCG1
SCHEMBL1881159 0.83 ALDH1A1 (0.33) ALDH1A1TDP2NSD2ABL1PLCG1
SCHEMBL17159951 0.72 ALDH1A1 (0.55) ALDH1A1TDP2NSD2ABL1PLCG1
SCHEMBL2967094 0.72 TDP2 (0.58) ALDH1A1TDP2NSD2ABL1PLCG1
SCHEMBL5152107 0.69 S100A4 (0.33) ALDH1A1TDP2NSD2ABL1PLCG1
SCHEMBL14380284 0.69 ALDH1A1 (0.36) ALDH1A1TDP2NSD2ABL1PLCG1
SCHEMBL31511817 0.67 S100A4 (0.54) ALDH1A1TDP2NSD2ABL1PLCG1
SCHEMBL3500581 0.65 ALDH1A1 (0.37) ALDH1A1TDP2NSD2ABL1PLCG1
SCHEMBL310818 0.65 ALDH1A1 (0.42) ALDH1A1TDP2NSD2ABL1PLCG1
SCHEMBL5002981 0.65 ALDH1A1 (0.37) ALDH1A1TDP2NSD2ABL1PLCG1

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 16 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-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
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
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 ALDH1A1 1009/4885TDP2 426/4885NSD2 2794/4885
US-20080194501-A1 Cyclic Bioisosters of Derivatives of a Purine System and Pharmaceutical Composition Based Thereon ADORA3, ADORA2A, ADORA2B ALDH1A1 1746/4885TDP2 3261/4885NSD2 4274/4885

“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.