SCHEMBL599463

SCHEMBL599463

COCC(P)Cn1cnc2c(N)ncnc21

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.60
ADORA1 P30542 4/20 0.60
PI4KA P42356 2/20 0.56
PI4K2B Q8TCG2 2/20 0.56
PI4K2A Q9BTU6 2/20 0.56
PI4KB Q9UBF8 2/20 0.56
AHCY P23526 3/20 0.56
ADORA2B P29275 1/20 0.54
ALDH1A1 P00352 1/20 0.53
NSD3 Q9BZ95 3/20 0.53
CYP3A4 P08684 1/20 0.52
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 1/20 0.48
NSD2 O96028 2/20 0.47

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
SCHEMBL2554686 0.84 ADORA2A (0.71) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL22855519 0.84 ADORA2A (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL23547672 0.84 ADORA2A (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL2554197 0.84 ADORA2A (0.71) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL16578129 0.84 ADORA2A (0.71) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL886940 0.83 ADORA2A (0.63) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL25651308 0.82 AHCY (0.64) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL3421178 0.80 ADORA2A (0.59) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL336404 0.79 ADORA2A (0.65) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL10878427 0.79 ADORA2A (0.65) ADORA2AADORA1PI4KAPI4K2BPI4K2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6194391-B1 CS-87 (TITLE COMPOUND) INDUCES A TRANSIENT MUTATION IN HIV-1 AT THE 70TH CODON OF THE REVERSE TRANSCRIPTASE REGION OF THE VIRUS; ADMINISTERING TO A HUMAN IN NEED OF THERAPY WITH A DRUG THAT INDUCES A MUTATION IN HIV-1 AT ANOTHER LOCATION EMORY UNIVERSITY 2001-02-27 US claimed
US-9861652-B2 2′ Fluoronucleosides EMORY UNIVERSITY (US) 2018-01-09 US disclosed
US-20160158266-A1 2' FLUORONUCLEOSIDES EMORY UNIVERSITY 2016-06-09 US disclosed
EP-1504014-B1 PROCESS FOR PREPARATION OF CYCLIC PRODRUGS OF PMEA AND PMPA METABASIS THERAPEUTICS INC (US) 2015-12-02 EP disclosed
US-9180138-B2 2′-fluoronucleosides UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2015-11-10 US disclosed
EP-2223927-B1 Salts of a phosphonic acid based prodrug of PMEA METABASIS THERAPEUTICS INC (US) 2014-10-15 EP disclosed
US-20130157971-A1 2'-FLUORONUCLEOSIDES SCHINAZI RAYMOND F (US) 2013-06-20 US disclosed
US-20130018018-A1 NOVEL NUCLEOSIDE PHOSPHONATES AND ANALOGS Epiphany Biosciences ,Inc. (US) 2013-01-17 US disclosed
US-8222257-B2 Phosphono-pent-2-en-1-yl nucleosides and analogs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-07-17 US disclosed
EP-2470194-A1 NOVEL NUCLEOSIDE PHOSPHONATES AND ANALOGS Epiphany Biosciences Inc. (US) 2012-07-04 EP disclosed
EP-1124565-A1 AZIDO DERIVATIVES OF BETA-L-2'-DEOXY-NUCLEOSIDES FOR THE TREATMENT OF HIV INFECTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2001-08-22 EP disclosed
US-20010009906-A1 Use of 3'-azido-2' ,3' -dideoxyuridine SCHINAZI RAYMOND F (US) 2001-07-26 US disclosed
EP-1098887-A1 SUBSTITUTED 6-BENZYL-4-OXOPYRIMIDINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Novirio Pharmaceuticals Limited (KY) 2001-05-16 EP disclosed
EP-1089741-A1 USE OF 3'-AZIDO-2',3'-DIDEOXYURIDINE IN COMBINATION WITH FURTHER ANTI-HIV DRUGS FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF HIV EMORY UNIVERSITY (US) 2001-04-11 EP disclosed
WO-2000025799-A1 β-L-2'-DEOXY-NUCLEOSIDES FOR THE TREATMENT OF HIV INFECTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2000-05-11 WO disclosed
WO-1999066936-A9 USE OF 3'-AZIDO-2',3'-DIDEOXYURIDINE IN COMBINATION WITH FURTHER ANTI-HIV DRUGS FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF HIV UNIV EMORY (US) 2000-04-06 WO disclosed
EP-0986375-A2 USE OF MKC-442 IN COMBINATION WITH OTHER ANTIVIRAL AGENTS Triangle Pharmaceuticals Inc. (US) 2000-03-22 EP disclosed
WO-2000003998-A1 SUBSTITUTED 6-BENZYL-4-OXOPYRIMIDINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NOVIRIO PHARMACEUTICALS LIMITED (KY) 2000-01-27 WO disclosed
WO-1999066936-A1 USE OF 3'-AZIDO-2',3'-DIDEOXYURIDINE IN COMBINATION WITH FURTHER ANTI-HIV DRUGS FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF HIV EMORY UNIVERSITY (US) 1999-12-29 WO disclosed
WO-1998044913-A2 COMPOSITIONS CONTAINING MKC-442 IN COMBINATION WITH OTHER ANTIVIRAL AGENTS TRIANGLE PHARMACEUTICALS, INC. (US) 1998-10-15 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 (4 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-20010009906-A1 Use of 3'-azido-2' ,3' -dideoxyuridine NSUN2, DUT, DUS2 ADORA2A 199/4885ADORA1 212/4885PI4KA 1537/4885
US-20130018018-A1 NOVEL NUCLEOSIDE PHOSPHONATES AND ANALOGS PNP, TYMP, ENTPD5 ADORA2A 726/4885ADORA1 1106/4885PI4KA 287/4885
US-20160158266-A1 2' FLUORONUCLEOSIDES PNP, BCL3, NPC1 ADORA2A 916/4885ADORA1 651/4885PI4KA 837/4885
US-20130157971-A1 2'-FLUORONUCLEOSIDES PNP, BCL3, FUBP3 ADORA2A 729/4885ADORA1 533/4885PI4KA 892/4885

“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.