SCHEMBL16824972

SCHEMBL16824972

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

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.58
CHRNA7 P36544 5/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPC1 O15118 1/20 0.49
AHR P35869 1/20 0.48
POLB P06746 1/20 0.48
THRB P10828 1/20 0.48
MAPT P10636 2/20 0.47
LCK P06239 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
MAOB P27338 1/20 0.45
SRC P12931 1/20 0.45

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 0.93 RXFP1 (0.52) RXFP1CHRNA7MEN1KMT2ANPC1
SCHEMBL30656122 0.88 RXFP1 (0.48) RXFP1MEN1KMT2AAHRPOLB
SCHEMBL16824859 0.88 RXFP1 (0.48) RXFP1MEN1KMT2AAHRPOLB
SCHEMBL23298327 0.87 RXFP1 (0.61) RXFP1CHRNA7MEN1KMT2ANPC1
SCHEMBL30020399 0.87 RXFP1 (0.61) RXFP1CHRNA7MEN1KMT2ANPC1
SCHEMBL20874043 0.86 RXFP1 (0.60) RXFP1CHRNA7MEN1KMT2ANPC1
SCHEMBL28094395 0.85 RXFP1 (0.46) RXFP1CHRNA7MEN1KMT2ANPC1
SCHEMBL15206769 0.84 RXFP1 (0.58) RXFP1CHRNA7MEN1KMT2ANPC1
SCHEMBL16824895 0.83 MAPT (0.67) RXFP1MEN1KMT2ANPC1AHR
SCHEMBL15206485 0.81 MEN1 (0.69) RXFP1MEN1KMT2ANPC1AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220194947-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2022-06-23 US disclosed
US-11208413-B2 Pyrimidopyrimidinones useful as wee-1 kinase inhibitors ALMAG DISCOVERY LIMITED (GB) 2021-12-28 US disclosed
EP-3592745-B1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS ALMAC DISCOVERY LTD (GB) 2021-07-28 EP disclosed
US-20210128560-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2021-05-06 US disclosed
CN-110603256-A Pyrimidopyrimidinones useful as WEE-1 kinase inhibitors 阿尔麦克探索有限公司 2019-12-20 CN 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 (4 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-11208413-B2 Pyrimidopyrimidinones useful as wee-1 kinase inhibitors WEE1, WEE2, NME1 RXFP1 4036/4885CHRNA7 4827/4885MEN1 1955/4885
US-20160318936-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS WEE1, WEE2, NME1 RXFP1 4231/4885CHRNA7 4828/4885MEN1 1681/4885
US-20220194947-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS WEE1, WEE2, NME1 RXFP1 4036/4885CHRNA7 4827/4885MEN1 1955/4885
US-20210128560-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS WEE1, WEE2, NME1 RXFP1 4036/4885CHRNA7 4827/4885MEN1 1955/4885

“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.