SCHEMBL16824823

SCHEMBL16824823

CC1CN(c2ccc([N+](=O)[O-])cc2CO)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
LMNA P02545 5/20 0.60
MAPT P10636 4/20 0.60
RECQL P46063 1/20 0.48
GPR119 Q8TDV5 2/20 0.46
SUV39H2 Q9H5I1 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAP4K4 O95819 1/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
WDR5 P61964 1/20 0.41
GAA P10253 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
SCHEMBL18186426 1.00 ALDH1A1 (0.60) ALDH1A1LMNAMAPTRECQLGPR119
SCHEMBL16824986 0.90 ALDH1A1 (0.58) ALDH1A1LMNAMAPTRECQLGPR119
SCHEMBL18186308 0.90 ALDH1A1 (0.58) ALDH1A1LMNAMAPTRECQLGPR119
SCHEMBL28094571 0.89 ALDH1A1 (0.46) ALDH1A1LMNAMAPTRECQLHTT
SCHEMBL28094569 0.89 ALDH1A1 (0.46) ALDH1A1LMNAMAPTRECQLHTT
SCHEMBL18186263 0.87 ALDH1A1 (0.45) ALDH1A1LMNAMAPTRECQLMEN1
SCHEMBL16824867 0.87 ALDH1A1 (0.45) ALDH1A1LMNAMAPTRECQLMEN1
SCHEMBL13419658 0.86 MAPT (0.76) ALDH1A1LMNAMAPTRECQLGPR119
SCHEMBL18186321 0.86 MAPT (0.76) ALDH1A1LMNAMAPTRECQLGPR119
SCHEMBL25405640 0.85 ALDH1A1 (0.61) ALDH1A1LMNAMAPTRECQLGPR119

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

“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.