SCHEMBL18186207

SCHEMBL18186207

COc1cc(N)ccc1N1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.45
▸ HSD11B1 P28845 1/20 0.43
▸ PARP1 P09874 1/20 0.43
▸ GPR119 Q8TDV5 2/20 0.42
▸ NR1H2 P55055 1/20 0.41
▸ RET P07949 2/20 0.40
▸ F13A1 P00488 1/20 0.39
▸ TGM2 P21980 1/20 0.39
▸ TGM1 P22735 1/20 0.39
▸ PDE4B Q07343 4/20 0.39
▸ NR4A1 P22736 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ GRM2 Q14416 1/20 0.35

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
SCHEMBL18186206 1.00 HDAC1 (0.45) HDAC1HSD11B1PARP1GPR119NR1H2
SCHEMBL18186314 0.87 HDAC1 (0.46) HDAC1HSD11B1PARP1GPR119NR1H2
SCHEMBL18186315 0.87 HDAC1 (0.46) HDAC1HSD11B1PARP1GPR119NR1H2
SCHEMBL18186350 0.87 HDAC1 (0.46) HDAC1HSD11B1PARP1GPR119NR1H2
SCHEMBL30890302 0.86 HDAC1 (0.48) HDAC1HSD11B1PARP1GPR119NR1H2
SCHEMBL30890381 0.86 HDAC1 (0.48) HDAC1HSD11B1PARP1GPR119NR1H2
SCHEMBL18186369 0.84 HDAC1 (0.44) HDAC1HSD11B1PARP1GPR119NR1H2
SCHEMBL18186370 0.84 HDAC1 (0.44) HDAC1HSD11B1PARP1GPR119NR1H2
SCHEMBL18186328 0.83 HSD11B1 (0.43) HDAC1HSD11B1PARP1GPR119RET
SCHEMBL18186327 0.83 HSD11B1 (0.43) HDAC1HSD11B1PARP1GPR119RET

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 HDAC1 942/4885HSD11B1 4242/4885PARP1 501/4885

“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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