SCHEMBL5677631

SCHEMBL5677631

O=c1[nH]c(Cc2ccccc2)nc2nc(Cc3ccccc3)[nH]c12

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PNP P00491 4/20 0.80
KMT2A Q03164 1/20 0.61
DAO P14920 1/20 0.56
RNASEH1 O60930 2/20 0.55
HTR2C P28335 1/20 0.51
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
ADORA3 P0DMS8 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL18248 0.89 PNP (1.00) PNPKMT2A
SCHEMBL8695702 0.89 PNP (0.70) PNPKMT2ADAORNASEH1HTR2C
SCHEMBL3425171 0.85 PNP (0.69) PNPKMT2ADAORNASEH1
SCHEMBL1533590 0.85 PNP (0.65) PNPKMT2ADAORNASEH1HTR2C
SCHEMBL1533532 0.85 PNP (0.65) PNPKMT2ADAORNASEH1HTR2C
SCHEMBL3433598 0.84 PNP (0.68) PNPKMT2APKM
SCHEMBL2776925 0.83 PNP (0.66) PNPKMT2ADAORNASEH1
SCHEMBL2788675 0.83 PNP (0.66) PNPKMT2ADAORNASEH1RXFP1
SCHEMBL5084818 0.83 PNP (0.58) PNPKMT2ADAORNASEH1
SCHEMBL10988912 0.82 PNP (0.61) PNPKMT2ADAORNASEH1HTR2C

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
EP-1670809-B1 SYNTHESIS AND MANUFACTURE OF PENTOSTATIN AND ITS PRECURSORS, ANALOGS AND DERIVATIVES MAYNE PHARMA PLC (GB) 2016-01-13 EP disclosed
EP-1670809-A2 SYNTHESIS AND MANUFACTURE OF PENTOSTATIN AND ITS PRECURSORS, ANALOGS AND DERIVATIVES SuperGen, Inc. (US) 2006-06-21 EP disclosed
US-20050267056-A1 Synthesis and manufacture of pentostatin and its precursors, analogs and derivatives MAYNE PHARMA (USA) INC. 2005-12-01 US disclosed
WO-2005027838-A2 SYNTHESIS AND MANUFACTURE OF PENTOSTATIN AND ITS PRECURSORS, ANALOGS AND DERIVATIVES SUPERGEN, INC. (US) 2005-03-31 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-20050267056-A1 Synthesis and manufacture of pentostatin and its precursors, analogs and derivatives UMPS, THPO, DHPS PNP 31/4885KMT2A 2391/4885DAO 121/4885

“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.