SCHEMBL13823955

SCHEMBL13823955

O=C(NCc1ccsc1)c1nc(-c2ccccn2)nc(O)c1O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.46
GRM5 P41594 2/20 0.45
F2 P00734 1/20 0.43
ENPP2 Q13822 1/20 0.41
ADORA2A P29274 2/20 0.41
GLA P06280 1/20 0.40
NAMPT P43490 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
ROCK2 O75116 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38

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
SCHEMBL5125113 0.87 HPGDS (0.62) HPGDSF2GLAADORA3ALDH1A1
SCHEMBL5128019 0.84 POLB (0.51) ADORA2AHPGDMAPK1ALDH1A1L3MBTL1
SCHEMBL5116652 0.83 GLA (0.58) HPGDSF2GLAL3MBTL1EGLN1
SCHEMBL5122215 0.82 HTT (0.57) HPGDSNAMPTHPGDMAPK1ALDH1A1
SCHEMBL5129242 0.80 HPGDS (0.51) HPGDSALDH1A1L3MBTL1EGLN1
SCHEMBL13728238 0.80 GLA (0.52) HPGDSGLA
SCHEMBL13824294 0.80 EGLN1 (0.54) HPGDSF2ADORA2AHPGDALDH1A1
SCHEMBL5123421 0.80 NPC1 (0.52) HPGDSADORA2AADORA3HPGD
SCHEMBL13728338 0.80 TAOK1 (0.49) HPGDSGLAADORA3HPGDMAPK1
SCHEMBL15522371 0.80 ADORA2A (0.48) HPGDSADORA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9328075-B2 Pyrimidinone compounds and methods for treating influenza ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2016-05-03 US disclosed
US-9328075-B2 Pyrimidinone compounds and methods for treating influenza ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2016-05-03 US disclosed
US-20140079666-A1 PYRIMIDINONE COMPOUNDS AND METHODS FOR PREVENTING AND TREATING INFLUENZA ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2014-03-20 US disclosed
US-20140079666-A1 PYRIMIDINONE COMPOUNDS AND METHODS FOR PREVENTING AND TREATING INFLUENZA ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2014-03-20 US disclosed
WO-2012151567-A1 PYRIMIDINONE COMPOUNDS AND METHODS FOR PREVENTING AND TREATING INFLUENZA ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2012-11-08 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-20140079666-A1 PYRIMIDINONE COMPOUNDS AND METHODS FOR PREVENTING AND TREATING INFLUENZA ADA, TYMP, ITPA HPGDS 1295/4885GRM5 1044/4885F2 1824/4885

“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.