SCHEMBL18186373

SCHEMBL18186373

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

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.60
▸ ALDH1A1 P00352 7/20 0.60
▸ LMNA P02545 4/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NR1H2 P55055 3/20 0.44
▸ NR1H3 Q13133 3/20 0.44
▸ HSD11B1 P28845 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ SIRT6 Q8N6T7 1/20 0.41

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
SCHEMBL18186381 1.00 MAPT (0.60) MAPTALDH1A1LMNASMN1; SMN2NR1H2
SCHEMBL18186372 1.00 MAPT (0.60) MAPTALDH1A1LMNASMN1; SMN2NR1H2
SCHEMBL18186345 0.89 MAPT (0.63) MAPTALDH1A1LMNASMN1; SMN2NR1H2
SCHEMBL16569974 0.89 MAPT (0.63) MAPTALDH1A1LMNASMN1; SMN2NR1H2
SCHEMBL17645014 0.89 MAPT (0.63) MAPTALDH1A1LMNASMN1; SMN2NR1H2
SCHEMBL16569609 0.89 MAPT (0.63) MAPTALDH1A1LMNASMN1; SMN2NR1H2
SCHEMBL27979420 0.86 MAPT (0.58) MAPTALDH1A1LMNASMN1; SMN2NR1H2
SCHEMBL18186339 0.85 NR1H2 (0.47) MAPTALDH1A1LMNANR1H2NR1H3
SCHEMBL16824946 0.85 NR1H2 (0.47) MAPTALDH1A1LMNANR1H2NR1H3
SCHEMBL18186231 0.85 NR1H2 (0.47) MAPTALDH1A1LMNANR1H2NR1H3

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 MAPT 3728/4885ALDH1A1 1940/4885LMNA 3631/4885

“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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