SCHEMBL1994057

SCHEMBL1994057

CNc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.77
ADORA3 P0DMS8 4/20 0.77
LMNA P02545 1/20 0.73
TP53 P04637 1/20 0.73
ADORA2A P29274 3/20 0.73
ADORA2B P29275 1/20 0.73
MEN1 O00255 1/20 0.73
CYP1A2 P05177 1/20 0.73
MAPK1 P28482 1/20 0.73
KMT2A Q03164 1/20 0.73
RXFP1 Q9HBX9 1/20 0.71
HTR2C P28335 1/20 0.69

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
SCHEMBL1994061 1.00 ADORA1 (0.77) ADORA1ADORA3LMNATP53ADORA2A
SCHEMBL4134920 1.00 ADORA1 (0.77) ADORA1ADORA3LMNATP53ADORA2A
SCHEMBL9496017 1.00 ADORA1 (0.77) ADORA1ADORA3LMNATP53ADORA2A
SCHEMBL9142291 1.00 ADORA1 (0.77) ADORA1ADORA3LMNATP53ADORA2A
SCHEMBL17921080 0.90 ADORA3 (0.72) ADORA1ADORA3LMNATP53ADORA2A
SCHEMBL8820476 0.90 LMNA (0.75) ADORA1ADORA3LMNATP53ADORA2A
SCHEMBL8820466 0.90 LMNA (0.75) ADORA1ADORA3LMNATP53ADORA2A
SCHEMBL5389231 0.89 LMNA (0.71) ADORA1ADORA3LMNATP53ADORA2A
SCHEMBL6259651 0.89 LMNA (0.71) ADORA1ADORA3LMNATP53ADORA2A
SCHEMBL6259647 0.89 LMNA (0.71) ADORA1ADORA3LMNATP53ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516637-B1 THERMOSTABLE BIOCATALYST COMBINATION FOR NUCLEOSIDE SYNTHESIS PLASMIA BIOTECH S L (ES) 2016-04-20 EP disclosed
US-8759034-B2 Thermostable biocatalyst combination for nucleoside synthesis PLASMIA BIOTECH, S.L. (ES) 2014-06-24 US disclosed
US-20130337547-A1 THERMOSTABLE BIOCATALYST COMBINATION FOR NUCLEOSIDE SYNTHESIS BRILL ENGINES, S.L. (ES) 2013-12-19 US disclosed
US-8512997-B2 Thermostable biocatalyst combination for nucleoside synthesis PLASMIA BIOTECH, S.L. (ES) 2013-08-20 US disclosed
EP-2516637-A1 THERMOSTABLE BIOCATALYST COMBINATION FOR NUCLEOSIDE SYNTHESIS Plasmia Biotech, S.L. (ES) 2012-10-31 EP disclosed
US-20120264175-A1 THERMOSTABLE BIOCATALYST COMBINATION FOR NUCLEOSIDE SYNTHESIS BRILL ENGINES, S.L. (ES) 2012-10-18 US disclosed
WO-2011076894-A1 THERMOSTABLE BIOCATALYST COMBINATION FOR NUCLEOSIDE SYNTHESIS INSTITUT UNIV. DE CIÈNCIA I TECNOLOGIA, S.A. (ES) 2011-06-30 WO disclosed
EP-2338985-A1 Thermostable biocatalyst combination for nucleoside synthesis Institut Univ. de Ciència i Tecnologia, s.a. (ES) 2011-06-29 EP disclosed
US-7262176-B2 Adenosine A3 receptor agonists CV THERAPEUTICS, INC. (US) 2007-08-28 US disclosed
US-7262176-B2 Adenosine A3 receptor agonists CV THERAPEUTICS, INC. (US) 2007-08-28 US disclosed
US-7262176-B2 Adenosine A3 receptor agonists CV THERAPEUTICS, INC. (US) 2007-08-28 US disclosed
EP-1414837-B1 ADENOSINE A3 RECEPTOR AGONISTS CV THERAPEUTICS INC (US) 2005-10-19 EP disclosed
US-20040116376-A1 Adenosine A3 receptor agonists CV THERAPEUTICS, INC. 2004-06-17 US disclosed
EP-1414837-A1 ADENOSINE A3 RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2004-05-06 EP disclosed
US-20030078232-A1 Adenosine receptor A3 agonists CV THERAPEUTICS, INC. 2003-04-24 US disclosed
WO-2003014137-A1 ADENOSINE A3 RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2003-02-20 WO disclosed
EP-0253962-B1 USE OF ADENOSINE DERIVATIVES AS ANTI-DEMENTIA AGENTS HOECHST JAPAN LIMITED (JP) 1993-03-24 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 (1 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-20030078232-A1 Adenosine receptor A3 agonists ADORA3, ADORA2A, ADORA1 ADORA1 3/4885ADORA3 1/4885LMNA 3090/4885

“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.