SCHEMBL6168437

SCHEMBL6168437

Nc1nc2[nH]cnc2c(=O)n1I

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 3/20 0.34
PARP1 P09874 1/20 0.33
ABL1 P00519 1/20 0.31
RIN1 Q13671 1/20 0.31
ATAD2 Q6PL18 1/20 0.31
IP6K1 Q92551 1/20 0.31
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
ADORA2A P29274 2/20 0.30
ADORA2B P29275 2/20 0.30
PIK3CD O00329 1/20 0.30
ALPL P05186 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
TMIGD3 P0DMS9 1/20 0.30
PDE4A P27815 1/20 0.30
ADORA1 P30542 1/20 0.30
CYP2C19 P33261 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 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
SCHEMBL8886026 0.81 PNP (0.35) PNPPARP1ABL1RIN1ATAD2
SCHEMBL20576 0.79 PNP (0.34) PNPPARP1ABL1RIN1ATAD2
SCHEMBL2051359 0.79 PNP (0.34) PNPPARP1ABL1RIN1ATAD2
SCHEMBL1828928 0.79 PNP (0.34) PNPPARP1ABL1RIN1ATAD2
SCHEMBL20866 0.79 ATAD2 (0.41) PNPATAD2LMNACYP1A2MAPT
SCHEMBL9960806 0.78 PNP (0.38) PNPPARP1ABL1RIN1LMNA
SCHEMBL10597939 0.77 PNP (0.33) PNPPARP1ATAD2LMNACYP1A2
SCHEMBL1301996 0.77 PNP (0.33) PNPPARP1
SCHEMBL7812591 0.77 ABL1 (0.33) PNPPARP1ABL1RIN1
SCHEMBL5021633 0.76 PARP1 (0.34) PNPPARP1ATAD2LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1414822-B1 IMPROVED SYNTHESIS OF BRANCHED ACYCLIC NUCLEOSIDES MEDIVIR AB (SE) 2005-02-16 EP disclosed
US-20040147743-A1 Synthesis of branched acyclic nucleosides BANK OF NEW YORK, THE 2004-07-29 US disclosed
EP-1414822-A1 IMPROVED SYNTHESIS OF BRANCHED ACYCLIC NUCLEOSIDES MEDIVIR AB (SE) 2004-05-06 EP disclosed
WO-2003002564-A1 IMPROVED SYNTHESIS OF BRANCHED ACYCLIC NUCLEOSIDES MEDIVIR AB (SE) 2003-01-09 WO disclosed
WO-1999030561-A1 NUCLEOTIDE-BASED PRODRUGS NEXSTAR PHARMACEUTICALS, INC. (US) 1999-06-24 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 (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-20040147743-A1 Synthesis of branched acyclic nucleosides SI, POLL, ME1 PNP 17/4885PARP1 208/4885ABL1 4332/4885

“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.