SCHEMBL16824830

SCHEMBL16824830

CCNc1nc(SC)ncc1C(=O)Nc1c(Cl)cccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
AHR P35869 1/20 0.46
KDM4E B2RXH2 1/20 0.46
PDE4B Q07343 2/20 0.46
ALDH1A1 P00352 3/20 0.46
NPSR1 Q6W5P4 1/20 0.45
MAPK14 Q16539 1/20 0.45
POLB P06746 1/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.43

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
SCHEMBL16824896 0.87 RXFP1 (0.52) RXFP1KMT2AMEN1LMNAMAPT
SCHEMBL15206574 0.85 LMNA (0.59) RXFP1KMT2AMEN1LMNAMAPT
SCHEMBL16824949 0.83 RXFP1 (0.53) RXFP1KMT2AMEN1LMNAMAPT
SCHEMBL16824917 0.83 RXFP1 (0.55) RXFP1KMT2AMEN1LMNAMAPT
SCHEMBL16824947 0.83 HTT (0.48) RXFP1KMT2AMEN1LMNAPDE4B
SCHEMBL16824904 0.82 RXFP1 (0.48) RXFP1KMT2AMEN1LMNAMAPT
SCHEMBL23086109 0.82 RXFP1 (0.54) RXFP1KMT2AMEN1LMNAMAPT
SCHEMBL20874035 0.82 RXFP1 (0.54) RXFP1KMT2AMEN1LMNAMAPT
SCHEMBL15206485 0.82 MEN1 (0.69) RXFP1KMT2AMEN1LMNAMAPT
SCHEMBL30054273 0.82 MEN1 (0.69) RXFP1KMT2AMEN1LMNAMAPT

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 RXFP1 4231/4885KMT2A 1696/4885MEN1 1681/4885

“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.