SCHEMBL16824948

SCHEMBL16824948

COc1ccc(CNc2nc(SC)ncc2C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
ASPH Q12797 2/20 0.54
KDM8 Q8N371 2/20 0.54
RIOX2 Q8IUF8 1/20 0.54
HTT P42858 1/20 0.52
PPARG P37231 2/20 0.51
POLB P06746 1/20 0.50
JAK3 P52333 1/20 0.48
VNN1 O95497 2/20 0.47
ALDH1A1 P00352 1/20 0.47
ABL1 P00519 1/20 0.46
SRC P12931 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
THRB P10828 1/20 0.45
RXFP1 Q9HBX9 2/20 0.44
AURKA O14965 1/20 0.44
RPS6KB1 P23443 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL4712695 0.87 ALDH1A1 (0.65) KDM4EHTTPOLBJAK3ALDH1A1
SCHEMBL1522370 0.87 PPARG (0.62) KDM4EASPHKDM8RIOX2HTT
SCHEMBL4974720 0.83 PDE5A (0.54)
SCHEMBL31189121 0.83 PDE5A (0.54)
SCHEMBL30879292 0.82 GAA (0.59) KDM4EHTTALDH1A1AURKAMEN1
SCHEMBL16824947 0.82 HTT (0.48) HTTPPARGPOLBJAK3ABL1
SCHEMBL14875464 0.82 HTT (0.48) HTTPPARGPOLBJAK3VNN1
SCHEMBL34462321 0.81 KDM4E (0.54) KDM4EASPHKDM8RIOX2JAK3
SCHEMBL4712339 0.81 HTT (0.76) HTTPOLBVNN1ABL1SRC
SCHEMBL4712462 0.81 HTT (0.51) HTTPOLBVNN1ABL1SRC

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
CN-105829315-B Pyrimidopyrimidinones useful as Wee-1 kinase inhibitors 阿尔麦克探索有限公司 2019-03-08 CN disclosed
US-9850247-B2 Pyrimidopyrimidinones useful as Wee-1 kinase inhibitors ALMAC HOUSE (GB) 2017-12-26 US disclosed
EP-3083625-B1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS ALMAC DISCOVERY LTD (GB) 2017-11-01 EP disclosed
US-20160318936-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2016-11-03 US disclosed
EP-3083625-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS Almac Discovery Limited (GB) 2016-10-26 EP disclosed
CN-105829315-A Pyrimidopyrimidinones useful as Wee-1 kinase inhibitors 阿尔麦克探索有限公司 2016-08-03 CN disclosed
WO-2015092431-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2015-06-25 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-20160318936-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS WEE1, WEE2, NME1 KDM4E 652/4885ASPH 2864/4885KDM8 1753/4885

“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.