SCHEMBL16824852

SCHEMBL16824852

CSc1ncc2c(n1)N(C)CN(c1ccccc1Cl)C2=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SLC6A2 P23975 10/20 0.42
CACNA2D1 P54289 10/20 0.42
WEE1 P30291 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPK14 Q16539 1/20 0.39
ALB P02768 2/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL16824892 0.87 WEE1 (0.51) SLC6A2CACNA2D1WEE1MAPK14
SCHEMBL16824923 0.84 WEE1 (0.50) SLC6A2CACNA2D1WEE1MAPK14
SCHEMBL16824934 0.83 WEE1 (0.45) SLC6A2CACNA2D1WEE1MAPK14
SCHEMBL30656418 0.83 WEE1 (0.45) SLC6A2CACNA2D1WEE1MAPK14
SCHEMBL1813022 0.80 MAPT (0.42) MAPTKDM4EALDH1A1WEE1GPBAR1
SCHEMBL18186297 0.79 SLC6A2 (0.42) SLC6A2CACNA2D1WEE1MAPK14
SCHEMBL20874020 0.77 WEE1 (0.53) WEE1
SCHEMBL18186255 0.76 SLC6A2 (0.43) MAPTKDM4EALDH1A1SLC6A2CACNA2D1
SCHEMBL20180609 0.75 WEE1 (0.41) MAPTKDM4EALDH1A1SLC6A2CACNA2D1
SCHEMBL29506611 0.75 WEE1 (0.41) MAPTKDM4EALDH1A1SLC6A2CACNA2D1

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-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
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 MAPT 3728/4885KDM4E 652/4885ALDH1A1 1940/4885

“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.