SCHEMBL16824904

SCHEMBL16824904

CSc1ncc(C(=O)Nc2c(Cl)cccc2Cl)c(NC2CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.48
PDE4B Q07343 2/20 0.47
LCK P06239 2/20 0.47
MAPK14 Q16539 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MERTK Q12866 1/20 0.45
LMNA P02545 2/20 0.45
AHR P35869 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
SYK P43405 1/20 0.44
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SIK1 P57059 1/20 0.42
SIK2 Q9H0K1 1/20 0.42
SIK3 Q9Y2K2 1/20 0.42
NPC1 O15118 1/20 0.41

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 0.85 RXFP1 (0.52) RXFP1PDE4BMEN1KMT2ALMNA
SCHEMBL16824830 0.82 RXFP1 (0.49) RXFP1PDE4BMAPK14MEN1KMT2A
SCHEMBL14875467 0.82 MERTK (0.44) RXFP1MEN1KMT2AMERTKLMNA
SCHEMBL16824949 0.81 RXFP1 (0.53) RXFP1PDE4BMAPK14MEN1KMT2A
SCHEMBL16824917 0.81 RXFP1 (0.55) RXFP1PDE4BMEN1KMT2ALMNA
SCHEMBL21554053 0.81 SYK (0.50) PDE4BMEN1KMT2AMERTKSYK
SCHEMBL31612105 0.80 LCK (0.60) LCKMAPK14SIK1SIK2SIK3
SCHEMBL29076139 0.80 LCK (0.60) LCKMAPK14SIK1SIK2SIK3
SCHEMBL30656122 0.80 RXFP1 (0.48) RXFP1PDE4BMEN1KMT2ALMNA
SCHEMBL16824859 0.80 RXFP1 (0.48) RXFP1PDE4BMEN1KMT2ALMNA

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 4231/4885PDE4B 1100/4885LCK 286/4885

“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.