SCHEMBL7016405

SCHEMBL7016405

O=c1[nH]c(=S)[nH]cc1Cc1cnccn1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
DAO P14920 1/20 0.39
PLA2G7 Q13093 3/20 0.39
KDM3B Q7LBC6 1/20 0.35
PNP P00491 2/20 0.34
HDAC8 Q9BY41 1/20 0.32
IDO1 P14902 1/20 0.31
MEN1 O00255 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL7011364 0.79 PNP (0.54) KMT2ATDP1DAOPNP
SCHEMBL7007907 0.75 PNP (0.55) DAOPLA2G7PNP
SCHEMBL4415229 0.74 PLA2G7 (0.43) KMT2ATDP1PLA2G7KDM3BPNP
SCHEMBL7010634 0.74 PNP (0.51) KMT2ATDP1PLA2G7PNPHDAC8
SCHEMBL7523746 0.72 KMT2A (0.47) KMT2ATDP1PLA2G7KDM3B
SCHEMBL7012934 0.71 KMT2A (0.43) KMT2ATDP1KDM3BMEN1
SCHEMBL10622918 0.69 HRH4 (0.46) KMT2ATDP1DAOPLA2G7PNP
SCHEMBL7010876 0.69 PLA2G7 (0.50) KMT2ATDP1PLA2G7
SCHEMBL7011359 0.69 KMT2A (0.44) KMT2ATDP1
SCHEMBL4424534 0.69 KMT2A (0.38) KMT2ATDP1DAOKDM3B

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-20020120139-A1 Pyrimidinone compounds and pharmaceutical compositions containing them HICKEY DEIRDRE MARY BERNADETTE (GB) 2002-08-29 US claimed
EP-1028955-B1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 2003-07-16 EP disclosed
US-20020120139-A1 Pyrimidinone compounds and pharmaceutical compositions containing them HICKEY DEIRDRE MARY BERNADETTE (GB) 2002-08-29 US disclosed
US-6417192-B1 DRUGS WITH PYRIMIDONE COMPOUNDS INHIBITORS OF THE ENZYME LDL PLA.SUB.2 AND THEREFORE OF USE IN TREATING ATHEROSCLEROSIS. SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-09 US disclosed
EP-1028955-A1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SmithKline Beecham p.l.c. (GB) 2000-08-23 EP disclosed
WO-1999024420-A1 PYRIMIDINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 1999-05-20 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-20020120139-A1 Pyrimidinone compounds and pharmaceutical compositions containing them PLA2G7, PLA2G1B, PLA2G4C KMT2A 3285/4885TDP1 940/4885DAO 862/4885

“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.