SCHEMBL16824838

SCHEMBL16824838

CC1CN(c2ccc(N)c(F)c2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 11/20 0.53
NR1H3 Q13133 10/20 0.53
MAP4K4 O95819 1/20 0.50
HDAC1 Q13547 1/20 0.50
SUV39H2 Q9H5I1 2/20 0.46
FAAH O00519 2/20 0.46
GPR119 Q8TDV5 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL18186172 1.00 NR1H2 (0.53) NR1H2NR1H3MAP4K4HDAC1SUV39H2
SCHEMBL30426904 1.00 NR1H2 (0.53) NR1H2NR1H3MAP4K4HDAC1SUV39H2
SCHEMBL30426972 1.00 NR1H2 (0.53) NR1H2NR1H3MAP4K4HDAC1SUV39H2
SCHEMBL20139589 0.90 NR1H2 (0.59) NR1H2NR1H3MAP4K4HDAC1SUV39H2
SCHEMBL24794734 0.88 MAP4K4 (0.51) NR1H2NR1H3MAP4K4HDAC1SUV39H2
SCHEMBL29709724 0.88 MAP4K4 (0.51) NR1H2NR1H3MAP4K4HDAC1SUV39H2
SCHEMBL24794736 0.88 MAP4K4 (0.51) NR1H2NR1H3MAP4K4HDAC1SUV39H2
SCHEMBL29709794 0.88 MAP4K4 (0.51) NR1H2NR1H3MAP4K4HDAC1SUV39H2
SCHEMBL17385218 0.87 NR1H2 (0.57) NR1H2NR1H3MAP4K4HDAC1SUV39H2
SCHEMBL17375389 0.87 NR1H2 (0.57) NR1H2NR1H3MAP4K4HDAC1SUV39H2

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 NR1H2 4618/4885NR1H3 4524/4885MAP4K4 76/4885

“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.