SCHEMBL3886601

SCHEMBL3886601

COc1ncc2c[nH]nc2n1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.34
HASPIN Q8TF76 2/20 0.33
DYRK1B Q9Y463 2/20 0.33
QPCT Q16769 1/20 0.31
QPCTL Q9NXS2 1/20 0.31
PIK3CA P42336 1/20 0.31
FTO Q9C0B1 1/20 0.31
HPGDS O60760 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
DAPK3 O43293 1/20 0.30
PLK1 P53350 1/20 0.30
PLK3 Q9H4B4 1/20 0.30
PLK2 Q9NYY3 1/20 0.30
DYRK1A Q13627 1/20 0.30

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
SCHEMBL342514 0.71 ALDH1A1 (0.44) ALDH1A1DYRK1A
SCHEMBL8128088 0.71
SCHEMBL1128351 0.71 KDM4E (0.44) DYRK1BALDH1A1
SCHEMBL3886600 0.69 CYP1A2 (0.38) CYP1A2HASPINDYRK1BQPCTQPCTL
SCHEMBL7323328 0.68 TLR9 (0.37) MEN1ALDH1A1KMT2AHSD17B10
SCHEMBL30995419 0.67 NPC1 (0.41) DYRK1BPIK3CAFTO
SCHEMBL18757838 0.65 SMN1; SMN2 (0.43) CYP1A2QPCTQPCTLPIK3CAMEN1
SCHEMBL5809787 0.65 CCNE2 (0.34)
SCHEMBL16517402 0.63 DYRK1B (0.39) CYP1A2HASPINDYRK1BDYRK1A
SCHEMBL13219255 0.63 MAPK1 (0.38) CYP1A2HASPINDYRK1BQPCTQPCTL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566775-B2 N8- and C8-linked purine bases and structurally related heterocycles as universal nucleosides used for oligonucleotides hybridization ROCHE MOLECULAR SYSTEMS, INC. (US) 2009-07-28 US disclosed
EP-1301523-B1 N8 - AND C8 -LINKED PURINE BASES AND STRUCTURALLY RELATED HETEROCYCLES AS UNIVERSAL NUCLEOSIDES USED FOR OLIGONUCLEOTIDE HYBRIDIZATION ROCHE DIAGNOSTICS GMBH (DE) 2009-01-14 EP disclosed
US-20060135462-A1 N8- and C8-linked purine bases and structurally related heterocycles as universal nucleosides used for oligonucleotides hybridization ROCHE MOLECULAR SYSTEMS, INC. (US) 2006-06-22 US disclosed
US-7063945-B2 N8 -and c8 -linked purine based and structurally related heterocycles as universal nucleosides used oligonucleotides hybridization ROCHE MOLECULAR SYSTEMS, INC (US) 2006-06-20 US disclosed
US-20040171820-A1 N8-and c8-linked purine based and structurally related heterocycles as universal nucleosides used oligonucleotides hybridization ROCHE MOLECULAR SYSTEMS, INC 2004-09-02 US disclosed
EP-1301523-A1 N8 - AND C8 -LINKED PURINE BASES AND STRUCTURALLY RELATED HETEROCYCLES AS UNIVERSAL NUCLEOSIDES USED FOR OLIGONUCLEOTIDE HYBRIDIZATION Roche Diagnostics GmbH (DE) 2003-04-16 EP disclosed
WO-2001072764-A1 N?8- AND C8¿-LINKED PURINE BASES AND STRUCTURALLY RELATED HETEROCYCLES AS UNIVERSAL NUCLEOSIDES USED FOR OLIGONUCLEOTIDE HYBRIDIZATION F. HOFFMANN-LA ROCHE AG (CH) 2001-10-04 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-20060135462-A1 N8- and C8-linked purine bases and structurally related heterocycles as universal nucleosides used for oligonucleotides hybridization NUDT1, NT5C3B, NT5C2 CYP1A2 3450/4885HASPIN 2220/4885DYRK1B 2928/4885
US-20040171820-A1 N8-and c8-linked purine based and structurally related heterocycles as universal nucleosides used oligonucleotides hybridization NUDT1, NT5C3B, NT5C2 CYP1A2 3027/4885HASPIN 2090/4885DYRK1B 3035/4885

“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.