SCHEMBL7010634

SCHEMBL7010634

O=c1[nH]c(=S)[nH]cc1Cc1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.51
HDAC8 Q9BY41 1/20 0.45
PLA2G7 Q13093 1/20 0.43
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
PDE10A Q9Y233 1/20 0.39

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
SCHEMBL7007140 0.86 HDAC8 (0.44) PNPHDAC8PLA2G7KMT2ATDP1
SCHEMBL4418633 0.83 ALDH1A1 (0.53) PNPKMT2AALDH1A1CYP2C9HPGD
SCHEMBL7007907 0.82 PNP (0.55) PNPPLA2G7
SCHEMBL4415229 0.81 PLA2G7 (0.43) PNPPLA2G7KMT2ATDP1
SCHEMBL11450005 0.81 KMT2A (0.49) KMT2ATDP1PDE3BPDE3AALDH1A1
SCHEMBL4423230 0.81 DAO (0.51) KMT2ATDP1PDE3BPDE3A
SCHEMBL9105430 0.77 KMT2A (0.42) KMT2ATDP1
SCHEMBL10918304 0.77 ERAP1 (0.60) KMT2ATDP1ALDH1A1
SCHEMBL10981672 0.77 TDP1 (0.46) KMT2ATDP1ALDH1A1
SCHEMBL9108804 0.77 DAO (0.47) KMT2ATDP1PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-4216318-A HISTAMINE HZ-ANTAGONISTS, ISOCYTOSINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-08-05 US disclosed
US-4154834-A HETEROCYCLIC-(THIO)ALKYLAMINO SUBSTITUTED-4-PYRIMIDONE OR -THIONES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-05-15 US 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 PNP 24/4885HDAC8 3223/4885PLA2G7 1/4885

“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.