SCHEMBL4813561

SCHEMBL4813561

CC(O)n1cnc2c(N)ncnc21

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.75
ADORA1 P30542 4/20 0.75
ADORA2B P29275 2/20 0.75
PI4KA P42356 1/20 0.75
PI4K2B Q8TCG2 1/20 0.75
PI4K2A Q9BTU6 1/20 0.75
PI4KB Q9UBF8 1/20 0.75
ADA P00813 4/20 0.63
PDE2A O00408 3/20 0.63
CYP3A4 P08684 2/20 0.63
PDE4A P27815 1/20 0.63
PDE4B Q07343 1/20 0.63
PDE4C Q08493 1/20 0.63
PDE4D Q08499 1/20 0.63
KDM4E B2RXH2 1/20 0.63
ALDH1A1 P00352 1/20 0.63
CYP1A2 P05177 1/20 0.63
ALOX15 P16050 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
HSD17B10 Q99714 1/20 0.63

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
Hydrochloric Acid SCHEMBL9193025 0.98 ADORA2A (0.73) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL22474983 0.86 ADORA2A (0.69) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL754007 0.86 ADORA2A (1.00) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL24205121 0.84 ADORA2A (0.77) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL18521145 0.84 ADORA2A (0.77) ADORA2AADORA1ADORA2BPI4KAPI4K2B
Hydrochloric Acid SCHEMBL30881556 0.84 ADORA2A (0.96) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL5029762 0.84 ADORA2A (0.67) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL8955888 0.83 ADORA2A (0.75) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL19779293 0.83 ADORA2A (0.75) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL5016844 0.83 ADORA2A (0.75) ADORA2AADORA1ADORA2BPI4KAPI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2906579-B1 2'-CHLORO NUCLEOSIDE ANALOGS FOR HCV INFECTION IDENIX PHARMACEUTICALS LLC (US) 2018-04-18 EP disclosed
EP-1504014-B1 PROCESS FOR PREPARATION OF CYCLIC PRODRUGS OF PMEA AND PMPA METABASIS THERAPEUTICS INC (US) 2015-12-02 EP disclosed
EP-1313751-B1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2008-09-17 EP disclosed
WO-2008086203-A1 USE OF REVERSIBLE INHIBITORS OF S-ADENOSYL-L-HOMOCYSTEINE HYDROLASE FOR TREATING LUPUS GENERAL ATOMICS (US) 2008-07-17 WO disclosed
US-7371857-B2 Synthesis for hydroxyalkylated heterocyclic bases VALEANT RESEARCH & DEVELOPMENT (US) 2008-05-13 US disclosed
US-20070203339-A1 Process for Preparation of Cyclic Prodrugs of PMEA and PMPA METABASIS THERAPEUTICS, INC. 2007-08-30 US disclosed
US-7193081-B2 9-(2-(2,4-cis(S)-4-(3-chlorophenyl)-2-oxo-1,3,2-dioxaphosphor-inan-2 -yl)methoxyethyl)adenine by coupling the dichloridate of 9-(2-phosphonyl- methoxyethyl- or propyl)adenine (PMEA)(PMPA) with a 1-(chlorophenyl) propylene-1,3-diol METABASIS THERAPEUTICS, INC. (US) 2007-03-20 US disclosed
US-20060135768-A1 Synthesis for hydroxyalkylated heterocyclic bases RIBAPHARM INC. (US) 2006-06-22 US disclosed
EP-1504014-A4 PROCESS FOR PREPARATION OF CYCLIC PRODRUGS OF PMEA AND PMPA METABASIS THERAPEUTICS INC (US) 2006-06-07 EP disclosed
CN-1234718-C New macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2006-01-04 CN disclosed
WO-2002016380-A1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2002-02-28 WO disclosed
US-5686629-A CHEMICAL INTERMEDIATES GILEAD SCIENCES, INC. (US) 1997-11-11 US disclosed
US-5565566-A N6-(ENDO(1R,2S,4S)-2-NORBORNYL)-9-METHYLADENINE OR N6-(ENDO(1S,2R,4R)-2-NORBORNYL)-9-METHYLADENINE DISCOVERY THERAPEUTICS, INC. (US) 1996-10-15 US disclosed
US-5514798-A REACTION OF CYCLIC CARBONATE WITH PURINE OR PYRIMIDINE BASE IN SOLVENT AND CRYSTALLIZATION GILEAD SCIENCES, INC. (US) 1996-05-07 US disclosed
EP-0533833-B1 PHOSPHOROUS PRODUGS GLAZIER ARNOLD (US) 1995-12-20 EP disclosed
EP-0533833-A1 PHOSPHOROUS PRODRUGS. GLAZIER ARNOLD (US) 1993-03-31 EP disclosed
EP-0457773-A4 N?6 -SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS 1993-03-10 EP disclosed
WO-1991019721-A1 PHOSPHOROUS PRODUGS GLAZIER ARNOLD (US) 1991-12-26 WO disclosed
EP-0457773-A1 N?6 -SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS WHITBY RESEARCH, Inc. (US) 1991-11-27 EP disclosed
WO-1990009178-A1 N6-SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS WHITBY RESEARCH, INC. (US) 1990-08-23 WO 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-20060135768-A1 Synthesis for hydroxyalkylated heterocyclic bases TERT, HRAS, DHPS ADORA2A 4293/4885ADORA1 4545/4885ADORA2B 3552/4885
US-20070203339-A1 Process for Preparation of Cyclic Prodrugs of PMEA and PMPA PNP, PHOSPHO1, MPO ADORA2A 360/4885ADORA1 849/4885ADORA2B 867/4885

“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.