SCHEMBL16824829

SCHEMBL16824829

CC(C)(C)OC(=O)CN1CCN(c2ccc(N)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 7/20 0.53
MAPT P10636 6/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
KDM4E B2RXH2 4/20 0.53
GAA P10253 3/20 0.53
RAD52 P43351 1/20 0.53
CASP6 P55212 1/20 0.50
ALDH1A1 P00352 6/20 0.45
KMT2A Q03164 2/20 0.45
ADRA2C P18825 1/20 0.45
PTK2B Q14289 1/20 0.45
ESR2 Q92731 1/20 0.45
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GPR119 Q8TDV5 2/20 0.41
S1PR1 P21453 1/20 0.40
HTR7 P34969 1/20 0.40

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
SCHEMBL22636512 0.86 DRD2 (0.51) GFERMAPTSMN1; SMN2KDM4EGAA
SCHEMBL6281452 0.85 ADRA2C (0.49) GFERMAPTSMN1; SMN2KDM4EGAA
SCHEMBL22471168 0.84 GFER (0.57) GFERMAPTSMN1; SMN2KDM4EGAA
SCHEMBL12732683 0.83 LMNA (0.53) SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL9610831 0.83 LMNA (0.53) SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL6793505 0.83 HRH3 (0.47) SMN1; SMN2
SCHEMBL6701215 0.82 MAPT (0.58) GFERMAPTSMN1; SMN2KDM4EGAA
SCHEMBL7353169 0.81 ITGB3 (0.53) MAPTSMN1; SMN2ALDH1A1GPR119
SCHEMBL29286990 0.81 MEN1 (0.48) MAPTSMN1; SMN2KDM4EGAAALDH1A1
SCHEMBL4821844 0.80 DRD2 (0.46) GFERMAPTSMN1; SMN2KDM4EGAA

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 GFER 3975/4885MAPT 3728/4885SMN1; SMN2 4422/4885

“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.