SCHEMBL16824902

SCHEMBL16824902

CC(C)(C)OC(=O)N1C2CCC1CN(c1ccc(N)cc1CO)C2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 3/20 0.46
HSD11B1 P28845 1/20 0.43
HDAC1 Q13547 1/20 0.43
GPR119 Q8TDV5 3/20 0.42
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
NR1H2 P55055 1/20 0.39
JAK2 O60674 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
ABCB1 P08183 1/20 0.35
RET P07949 1/20 0.35
KCNK3 O14649 4/20 0.35
KCNK9 Q9NPC2 4/20 0.35
PREP P48147 2/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL16824890 0.91 JAK1 (0.39) JAK1HSD11B1HDAC1GPR119CHRM2
SCHEMBL31485228 0.84 JAK1 (0.48) JAK1HSD11B1HDAC1GPR119CHRM2
SCHEMBL19211006 0.84 JAK1 (0.48) JAK1HSD11B1HDAC1GPR119CHRM2
SCHEMBL29577114 0.84 JAK1 (0.48) JAK1HSD11B1HDAC1GPR119CHRM2
SCHEMBL16824873 0.83 HSD11B1 (0.45) JAK1HSD11B1GPR119GAA
SCHEMBL16166510 0.80 NR1H2 (0.51) GPR119CHRM2CHRM1CHRM3NR1H2
SCHEMBL24595763 0.80 GPR119 (0.44) JAK1HSD11B1HDAC1GPR119CHRM2
SCHEMBL29707380 0.80 GPR119 (0.44) JAK1HSD11B1HDAC1GPR119CHRM2
SCHEMBL29707408 0.79 JAK1 (0.47) JAK1HSD11B1HDAC1GPR119CHRM2
SCHEMBL18186225 0.78 HSD11B1 (0.50) JAK1HSD11B1HDAC1GPR119CHRM2

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
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 JAK1 65/4885HSD11B1 4242/4885HDAC1 942/4885

“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.