SCHEMBL16824898

SCHEMBL16824898

Nc1ccc(N2CCCCC2)c(CO)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
POLB P06746 4/20 0.59
HTT P42858 5/20 0.55
GAA P10253 7/20 0.53
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
MAPT P10636 5/20 0.53
THRB P10828 3/20 0.53
NR4A1 P22736 1/20 0.53
PTK2B Q14289 1/20 0.53
KDM4E B2RXH2 5/20 0.53
HSD17B10 Q99714 3/20 0.53
ALOX15 P16050 3/20 0.53
GFER P55789 1/20 0.53
YWHAG P61981 1/20 0.53
ACHE P22303 2/20 0.46
S100B P04271 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
LMNA P02545 2/20 0.44

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
SCHEMBL12006303 0.85 MAPT (0.54) ALDH1A1POLBHTTGAAMEN1
SCHEMBL11439643 0.84 ALDH1A1 (0.61) ALDH1A1POLBHTTGAAMEN1
SCHEMBL16580772 0.83 HTR6 (0.43) ALDH1A1POLBHTTGAAMEN1
SCHEMBL188672 0.83 MAPT (0.61) ALDH1A1POLBGAAMEN1KMT2A
SCHEMBL189132 0.83 MAPT (0.59) ALDH1A1POLBHTTGAAMEN1
SCHEMBL29507839 0.83 MAPT (0.59) ALDH1A1POLBHTTGAAMEN1
SCHEMBL27407320 0.82 ALDH1A1 (0.58) ALDH1A1POLBHTTGAAMEN1
SCHEMBL7033209 0.81 ALDH1A1 (0.49) ALDH1A1POLBHTTGAAMEN1
SCHEMBL11287453 0.81 HTT (0.57) ALDH1A1POLBHTTGAAMEN1
SCHEMBL1808790 0.81 MAPT (0.64) ALDH1A1GAAMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105829315-B Pyrimidopyrimidinones useful as Wee-1 kinase inhibitors 阿尔麦克探索有限公司 2019-03-08 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
CN-105829315-A Pyrimidopyrimidinones useful as Wee-1 kinase inhibitors 阿尔麦克探索有限公司 2016-08-03 CN 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 ALDH1A1 1940/4885POLB 1298/4885HTT 4474/4885

“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.