SCHEMBL18186231

SCHEMBL18186231

COC[C@H]1CN(c2ccc(N)cc2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 13/20 0.47
▸ NR1H3 Q13133 12/20 0.47
▸ HDAC1 Q13547 1/20 0.41
▸ GPR119 Q8TDV5 2/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CASP6 P55212 1/20 0.39
▸ GFER P55789 1/20 0.39

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
SCHEMBL18186339 1.00 NR1H2 (0.47) NR1H2NR1H3HDAC1GPR119MAP4K4
SCHEMBL16824946 1.00 NR1H2 (0.47) NR1H2NR1H3HDAC1GPR119MAP4K4
SCHEMBL16824975 0.88 NR1H2 (0.48) NR1H2NR1H3HDAC1GPR119MAP4K4
SCHEMBL16569865 0.88 NR1H2 (0.48) NR1H2NR1H3HDAC1GPR119MAP4K4
SCHEMBL18186418 0.88 NR1H2 (0.48) NR1H2NR1H3HDAC1GPR119MAP4K4
SCHEMBL18186416 0.88 NR1H2 (0.48) NR1H2NR1H3HDAC1GPR119MAP4K4
SCHEMBL18186381 0.85 MAPT (0.60) NR1H2NR1H3ALDH1A1LMNAMAPT
SCHEMBL18186373 0.85 MAPT (0.60) NR1H2NR1H3ALDH1A1LMNAMAPT
SCHEMBL18186372 0.85 MAPT (0.60) NR1H2NR1H3ALDH1A1LMNAMAPT
SCHEMBL27979284 0.84 NR1H2 (0.46) NR1H2NR1H3HDAC1GPR119MAP4K4

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 3 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

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 4524/4885HDAC1 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.

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