SCHEMBL3433598

SCHEMBL3433598

O=c1[nH]c(NCc2ccccc2)nc2nc(Cc3ccccc3)[nH]c12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 3/20 0.68
RECQL P46063 1/20 0.51
KMT2A Q03164 2/20 0.50
HPGD P15428 1/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50
PKM P14618 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
TSHR P16473 1/20 0.49
PI4KA P42356 2/20 0.49
PI4K2B Q8TCG2 2/20 0.49
PI4K2A Q9BTU6 2/20 0.49
PI4KB Q9UBF8 2/20 0.49
XDH P47989 1/20 0.47
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
PDE9A O76083 1/20 0.46

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
SCHEMBL2776925 0.88 PNP (0.66) PNPKMT2A
SCHEMBL1533532 0.85 PNP (0.65) PNPKMT2A
SCHEMBL1533590 0.85 PNP (0.65) PNPKMT2A
SCHEMBL3425171 0.85 PNP (0.69) PNPKMT2A
SCHEMBL6356976 0.85 PNP (0.70) PNPRECQLKMT2AHPGDMEN1
SCHEMBL5677631 0.84 PNP (0.80) PNPKMT2APKM
SCHEMBL1573109 0.84 PDE9A (0.51) PNPKMT2AMEN1HTTSMN1; SMN2
SCHEMBL5798035 0.83 PNP (0.67) PNPRECQLKMT2AHPGDMEN1
SCHEMBL3670393 0.83 PNP (0.70) PNPRECQLKMT2AHPGDMEN1
SCHEMBL6359272 0.83 PNP (0.92) PNPRECQLHPGDPKML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799524-B2 Substrates for O6-alkylguanina-DNA alkyltransferase Ecole Polytechnique Ferdeale de Lausanne (CH) 2010-09-21 US disclosed
US-20060024775-A1 Substrates for o6-alkylguanina-dna alkyltransferase ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL). (CH) 2006-02-02 US disclosed
EP-1546371-A1 SUBSTRATES FOR O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2005-06-29 EP disclosed
WO-2004031405-A1 SUBSTRATES FOR O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2004-04-15 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 (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-20060024775-A1 Substrates for o6-alkylguanina-dna alkyltransferase AGT, OGG1, NUDT1 PNP 176/4885RECQL 1226/4885KMT2A 856/4885

“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.