SCHEMBL16824949

SCHEMBL16824949

CSc1ncc(C(=O)Nc2c(Cl)cccc2Cl)c(Nc2ccccc2)n1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
POLB P06746 1/20 0.50
THRB P10828 1/20 0.50
AHR P35869 1/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
SYK P43405 2/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
EGFR P00533 1/20 0.47
BTK Q06187 1/20 0.47
MAPK14 Q16539 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PDE4B Q07343 2/20 0.46

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 0.86 RXFP1 (0.52) RXFP1MEN1KMT2APOLBTHRB
SCHEMBL16824830 0.83 RXFP1 (0.49) RXFP1MEN1KMT2APOLBTHRB
SCHEMBL16824917 0.82 RXFP1 (0.55) RXFP1MEN1KMT2APOLBTHRB
SCHEMBL16824916 0.81 RXFP1 (0.44) RXFP1MEN1KMT2APOLBTHRB
SCHEMBL16824904 0.81 RXFP1 (0.48) RXFP1MEN1KMT2APOLBTHRB
SCHEMBL23086109 0.81 RXFP1 (0.54) RXFP1MEN1KMT2APOLBTHRB
SCHEMBL20874035 0.81 RXFP1 (0.54) RXFP1MEN1KMT2APOLBTHRB
SCHEMBL30054273 0.81 MEN1 (0.69) RXFP1MEN1KMT2APOLBTHRB
SCHEMBL15206485 0.81 MEN1 (0.69) RXFP1MEN1KMT2APOLBTHRB
SCHEMBL1315419 0.81 SYK (0.55) RXFP1MEN1KMT2ATHRBLMNA

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 4231/4885MEN1 1681/4885KMT2A 1696/4885

“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.