SCHEMBL16824859

SCHEMBL16824859

CNc1nc(SC)ncc1C(=O)Nc1c(F)cccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.45
AHR P35869 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
TNK2 Q07912 2/20 0.44
PDE4B Q07343 2/20 0.43
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
ALDH1A1 P00352 1/20 0.42
JAK1 P23458 1/20 0.41
JAK3 P52333 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
SCHEMBL30656122 1.00 RXFP1 (0.48) RXFP1MEN1KMT2AMAPTAHR
SCHEMBL16824896 0.92 RXFP1 (0.52) RXFP1MEN1KMT2AMAPTAHR
SCHEMBL16824972 0.88 RXFP1 (0.58) RXFP1MEN1KMT2AMAPTAHR
SCHEMBL15206053 0.87 MEN1 (0.62) RXFP1MEN1KMT2AMAPTAHR
SCHEMBL30656466 0.87 MEN1 (0.62) RXFP1MEN1KMT2AMAPTAHR
SCHEMBL20874058 0.87 RXFP1 (0.49) RXFP1MEN1KMT2AMAPTAHR
SCHEMBL15207007 0.85 LMNA (0.54) RXFP1MEN1KMT2AMAPTAHR
SCHEMBL28094395 0.84 RXFP1 (0.46) RXFP1MEN1KMT2AMAPTAHR
SCHEMBL16824895 0.82 MAPT (0.67) RXFP1MEN1KMT2AMAPTAHR
SCHEMBL16824904 0.80 RXFP1 (0.48) RXFP1MEN1KMT2AMAPTAHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023217201-A2 NOVEL PYRIMIDO-HETEROCYCLIC NOVEL COMPOUND SERVING AS WEE1 INHIBITOR AND APPLICATION THEREOF 杭州德睿智药科技有限公司 2023-11-16 WO 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
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.