SCHEMBL933141

SCHEMBL933141

C=CCc1nc2c(=O)[nH]c(N)nc2n1N

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
PNP P00491 12/20 0.43
TK1 P04183 2/20 0.38
XDH P47989 1/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
EDNRA P25101 1/20 0.36
HTR2A P28223 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
HBB P68871 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HPRT1 P00492 1/20 0.35

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
SCHEMBL8076819 0.79 PNP (0.68) PNPXDH
SCHEMBL24499105 0.71 PNP (0.46) PNPTK1XDHHBB
SCHEMBL786949 0.68 NPSR1 (0.50) NPSR1PNPTK1HBBHSD17B10
SCHEMBL18870774 0.68 PNP (0.49) PNPTK1XDH
SCHEMBL4856569 0.68 NPSR1 (0.30) NPSR1
SCHEMBL10169133 0.67 NPSR1 (0.66) NPSR1PNPTSHR
SCHEMBL13587333 0.67 PNP (0.48) PNPTK1XDH
SCHEMBL669006 0.67 TK1 (0.68) PNPTK1USP2TSHREDNRA
SCHEMBL12956833 0.66 NPSR1 (0.70) NPSR1PNPTSHRHBB
SCHEMBL18870637 0.66 PNP (0.53) PNPTK1XDHHPRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017620-B2 Dutpase inhibitors MEDIVIR AB (SE) 2011-09-13 US disclosed
US-20110021459-A1 DUTPASE INHIBITORS MEDIVIR AB (SE) 2011-01-27 US disclosed
US-7795270-B2 DUTPase inhibitors MEDIVIR AB (SE) 2010-09-14 US disclosed
US-20080312183-A1 Dutpase Inhibitors MEDIVIR AB (SE) 2008-12-18 US disclosed
EP-1701727-A1 DUTPASE INHIBITORS Medivir Aktiebolag (SE) 2006-09-20 EP disclosed
WO-2005065689-A1 DUTPASE INHIBITORS MEDIVIR AB (SE) 2005-07-21 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-20080312183-A1 Dutpase Inhibitors DUT, DHODH, RNASEH1 NPSR1 2924/4885PNP 31/4885TK1 75/4885
US-20110021459-A1 DUTPASE INHIBITORS DUT, DHODH, NAT10 NPSR1 3435/4885PNP 41/4885TK1 118/4885

“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.