SCHEMBL2975734

SCHEMBL2975734

O=C1N=NC(=O)c2ncncc21

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 1/20 0.48
TOP2A P11388 3/20 0.36
TOP2B Q02880 3/20 0.36
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
KMT2A Q03164 1/20 0.33
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31

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
SCHEMBL29965655 0.77 CDC25B (0.39) CDC25B
SCHEMBL1180 0.77 CDC25B (0.39) CDC25B
SCHEMBL29590064 0.77 CDC25B (0.39) CDC25B
SCHEMBL367524 0.77 CDC25B (0.39) CDC25B
SCHEMBL28509857 0.76 CDC25B (0.38) CDC25B
Water SCHEMBL1504509 0.76 CDC25B (0.38) CDC25B
Water SCHEMBL1504511 0.76 CDC25B (0.38) CDC25B
SCHEMBL23235636 0.73 CDC25B (0.72) CDC25BTOP2ATOP2BMAPK9MAPK10
SCHEMBL23235898 0.73 CDC25B (0.65) CDC25BTOP2ATOP2BMAPK9MAPK10
SCHEMBL30956636 0.73 CDC25B (0.65) CDC25BTOP2ATOP2BMAPK9MAPK10

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 CDC25B 3753/4885TOP2A 1928/4885TOP2B 1170/4885
US-20080194501-A1 Cyclic Bioisosters of Derivatives of a Purine System and Pharmaceutical Composition Based Thereon ADORA3, ADORA2A, ADORA2B CDC25B 3189/4885TOP2A 2813/4885TOP2B 1659/4885

“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.