SCHEMBL16824825

SCHEMBL16824825

CCN(Cc1cc([N+](=O)[O-])ccc1N1CCOCC1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 6/20 0.54
RAB9A P51151 2/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 3/20 0.52
NPC1 O15118 1/20 0.52
RXFP1 Q9HBX9 1/20 0.51
HTT P42858 2/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
NFKB1 P19838 1/20 0.50
CYP2C19 P33261 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50

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
SCHEMBL16825008 0.86 LMNA (0.50) ALDH1A1SMN1; SMN2LMNARAB9AMAPT
SCHEMBL16824880 0.86 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2LMNARAB9AMAPT
SCHEMBL13241732 0.83 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2LMNARAB9AMAPT
SCHEMBL16824836 0.81 MAPT (0.48) ALDH1A1SMN1; SMN2LMNAMAPTNPC1
SCHEMBL1475834 0.80 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2LMNARAB9AMAPT
SCHEMBL16824900 0.78 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2LMNARAB9AMAPT
SCHEMBL16166514 0.77 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2LMNARAB9AMAPT
SCHEMBL28049064 0.77 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2LMNARAB9AMAPT
SCHEMBL29525309 0.77 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2LMNARAB9AMAPT
SCHEMBL28183887 0.77 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2LMNARAB9AMAPT

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 1940/4885SMN1; SMN2 4422/4885LMNA 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.