SCHEMBL7198420

SCHEMBL7198420

Nc1nc(Br)nc2c1ncn2[C@H]1CC(O)[C@@H](CO)O1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 1/20 0.76
▸ LMNA P02545 1/20 0.76
▸ TP53 P04637 1/20 0.76
▸ HTT P42858 1/20 0.76
▸ PDE4D Q08499 1/20 0.76
▸ PDE3A Q14432 1/20 0.76
▸ SMN1; SMN2 Q16637 1/20 0.76
▸ RXFP1 Q9HBX9 1/20 0.76
▸ PIM1 P11309 1/20 0.60
▸ CSNK2A2 P19784 1/20 0.60
▸ CSNK2B P67870 1/20 0.60
▸ CSNK2A1 P68400 1/20 0.60
▸ CSNK2A3 Q8NEV1 1/20 0.60
▸ HIF1A Q16665 1/20 0.58
▸ ADRB1 P08588 1/20 0.57
▸ DNMT1 P26358 1/20 0.57

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
SCHEMBL5982104 1.00 PNP (0.76) PNPLMNATP53HTTPDE4D
SCHEMBL5549318 1.00 PNP (0.76) PNPLMNATP53HTTPDE4D
SCHEMBL31519543 1.00 PNP (0.76) PNPLMNATP53HTTPDE4D
SCHEMBL5982109 1.00 PNP (0.76) PNPLMNATP53HTTPDE4D
SCHEMBL23982120 0.88 PNP (0.79) PNPLMNATP53HTTPDE4D
SCHEMBL5982387 0.88 PNP (0.79) PNPLMNATP53HTTPDE4D
SCHEMBL176347 0.88 PNP (0.79) PNPLMNATP53HTTPDE4D
SCHEMBL21562191 0.88 PNP (0.79) PNPLMNATP53HTTPDE4D
SCHEMBL5982393 0.88 PNP (0.62) PNPLMNATP53HTTPDE4D
SCHEMBL5982391 0.88 PNP (0.62) PNPLMNATP53HTTPDE4D

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
US-6596858-B2 Dissolving 2,6-diaminopurine derivatives in an aprotic solvent mixture and reacting with organic nitrite and metal halide (Lewis acids) RELIABLE BIOPHARMACEUTICAL, INC. 2003-07-22 — — US disclosed
US-6498241-B1 2-deoxy-isoguanosines isosteric analogues and isoguanosine derivatives as well as their synthesis ROCHE DIAGNOSTICS GMBH (DE) 2002-12-24 — — US disclosed
US-20020052492-A1 Process for the production of 2-halo-6-aminopurine derivatives RELIABLE BIOPHARMACEUTICAL, INC. 2002-05-02 — — US disclosed
US-6252061-B1 REACTING 2,6-DIAMINOPURINE WITH ORGANIC NITRITE AND METAL HALIDE RELIABLE BIOPHARMACEUTICAL, INC. 2001-06-26 — — US disclosed
US-6147199-A 2-deoxy-isoguanosines isoteric analogues and isoguanosine containing oligonucleotides BOEHRINGER MANNHEIM (DE) 2000-11-14 — — US disclosed
EP-0626853-B1 USE OF SUBSTITUTED ADENINE DERIVATIVES FOR TREATING MULTIPLE SCLEROSIS SCRIPPS RESEARCH INST (US) 2000-04-26 — — EP disclosed
EP-0776211-A4 2-HALO-2'-DEOXYADENOSINE TREATMENT FOR HISTIOCYTOSIS SCRIPPS RESEARCH INST (US) 1999-12-08 — — EP disclosed
EP-0776211-A1 2-HALO-2'-DEOXYADENOSINE TREATMENT FOR HISTIOCYTOSIS THE SCRIPPS RESEARCH INSTITUTE (US) 1997-06-04 — — EP disclosed
US-5541164-A Such as cladribine, to treat e.g. rheumatoid arthritis and multiple sclerosis THE SCRIPPS RESEARCH INSTITUTE (US) 1996-07-30 — — US disclosed
US-5510336-A ADMINISTERING LOWER DOSAGES FOR SIDE EFFECT REDUCTION SCRIPPS RESEARCH INSTITUTE, THE 1996-04-23 — — US disclosed
EP-0355135-B1 ADENOSINE DEAMINASE-STABLE ANTI-RETROVIRAL NUCLEOSIDES SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1993-08-04 — — EP disclosed
US-5106837-A Administering 2-halo-2'-deoxyadenosine such as cladribine; treating autohemolytic anemia THE SCRIPPS RESEARCH INSTITUTE (US) 1992-04-21 — — US disclosed
US-4997926-A Viricides SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1991-03-05 — — US disclosed
EP-0364559-A4 SUBSTITUTED ADENINE DERIVATIVES USEFUL AS THERAPEUTIC AGENTS — 1991-01-09 — — EP disclosed
EP-0364559-A1 SUBSTITUTED ADENINE DERIVATIVES USEFUL AS THERAPEUTIC AGENTS. SCRIPPS CLINIC RES (US) 1990-04-25 — — EP disclosed
EP-0355135-A4 ADENOSINE DEAMINASE-STABLE ANTI-RETROVIRAL NUCLEOSIDES. SCRIPPS CLINIC RES (US) 1990-04-09 — — EP disclosed
EP-0355135-A1 ADENOSINE DEAMINASE-STABLE ANTI-RETROVIRAL NUCLEOSIDES SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1990-02-28 — — EP disclosed
WO-1989008658-A1 SUBSTITUTED ADENINE DERIVATIVES USEFUL AS THERAPEUTIC AGENTS SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1989-09-21 — — WO disclosed
WO-1989004662-A1 ADENOSINE DEAMINASE-STABLE ANTI-RETROVIRAL NUCLEOSIDES SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1989-06-01 — — WO disclosed
US-4719295-A ANTIMICROBIAL, ANTIVIRAL, ANTILEUKEMIA WARNER-LAMBERT COMPANY (US) 1988-01-12 — — US 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-20020052492-A1 Process for the production of 2-halo-6-aminopurine derivatives TPMT, NUDT1, DCTD PNP 7/4885LMNA 4608/4885TP53 2340/4885

“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.

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