SCHEMBL2979895

SCHEMBL2979895

O=c1[nH]cnc2c1ncn2Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.68
LMNA P02545 1/20 0.68
KMT2A Q03164 1/20 0.68
PNP P00491 4/20 0.65
ACP1 P24666 1/20 0.62
ADORA2A P29274 1/20 0.57
PI4KA P42356 1/20 0.57
PI4K2B Q8TCG2 1/20 0.57
PI4K2A Q9BTU6 1/20 0.57
PI4KB Q9UBF8 1/20 0.57
HPRT1 P00492 4/20 0.56
MAPT P10636 1/20 0.53
DAPK1 P53355 1/20 0.50

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
SCHEMBL3126819 0.87 ADORA2A (0.60) MEN1LMNAKMT2APNPADORA2A
SCHEMBL21977361 0.86 LMNA (0.69) MEN1LMNAKMT2APNPACP1
SCHEMBL22533355 0.82 MEN1 (0.65) MEN1LMNAKMT2APNPACP1
SCHEMBL6675396 0.82 ACP1 (0.70) MEN1LMNAKMT2APNPACP1
SCHEMBL18249 0.79 PNP (1.00) PNP
SCHEMBL1980959 0.78 PNP (0.97) PNP
SCHEMBL6673665 0.78 ACP1 (0.72) KMT2APNPACP1ADORA2API4KA
SCHEMBL4559994 0.77 HPRT1 (0.52) MEN1LMNAKMT2APNPHPRT1
SCHEMBL20893725 0.77 MAPT (0.60) MEN1KMT2APNPACP1HPRT1
SCHEMBL2958439 0.77 SMN1; SMN2 (0.53) KMT2APNPACP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113480539-B Synthetic method of nitric acid catalyzed hypoxanthine derivative 新乡学院 2023-03-31 CN disclosed
CN-113480539-A Synthetic method of nitric acid catalyzed hypoxanthine derivative 新乡学院 2021-10-08 CN disclosed
US-7781432-B2 Analogs of nitrobenzylthioinosine GRUENENTHAL GMBH (DE) 2010-08-24 US disclosed
WO-2008131501-A2 NEW ANTI-VIRAL NUCLEOSIDE ANALOGS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2008-11-06 WO disclosed
EP-1612210-B1 New analogs of nitrobenzylthioinosine GRUENENTHAL GMBH (DE) 2007-09-26 EP disclosed
US-20070197528-A1 analgesic. especially acute, chronic and/or neuropathic pain; epilepsy and other CNS-related disorders as well as for neuroprotection or cardioprotection; 9-benzyl-8-(cyclopentylamine)-6-(4-nitrobenzyl-mercaptopurine GRUENENTHAL GMBH (DE) 2007-08-23 US disclosed
EP-1761534-A2 NEW ANALOGS OF NITROBENZYLTHIOINOSINE Grünenthal GmbH (DE) 2007-03-14 EP disclosed
WO-2006002846-A2 NEW ANALOGS OF NITROBENZYLTHIOINOSINE Grünenthal GmbH (DE) 2006-01-12 WO disclosed
EP-1612210-A1 New analogs of nitrobenzylthioinosine Grünenthal GmbH (DE) 2006-01-04 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-20070197528-A1 analgesic. especially acute, chronic and/or neuropathic pain; epilepsy and other CNS-related disorders as well as for neuroprotection or cardioprotection; 9-benzyl-8-(cyclopentylamine)-6-(4-nitrobenzyl-mercaptopurine TPMT, NLN, NNMT MEN1 4207/4885LMNA 2880/4885KMT2A 2132/4885

“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.