SCHEMBL16824851

SCHEMBL16824851

COCc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.63
LMNA P02545 6/20 0.63
MAPT P10636 6/20 0.63
SMN1; SMN2 Q16637 3/20 0.47
MET P08581 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
SLC6A5 Q9Y345 2/20 0.43
SLC6A9 P48067 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL30310805 0.89 ALDH1A1 (0.65) ALDH1A1LMNAMAPTSMN1; SMN2CYP1A2
SCHEMBL1814622 0.89 ALDH1A1 (0.65) ALDH1A1LMNAMAPTSMN1; SMN2CYP1A2
SCHEMBL16824869 0.88 ALDH1A1 (0.64) ALDH1A1LMNAMAPTSMN1; SMN2CYP1A2
SCHEMBL16825024 0.88 ALDH1A1 (0.64) ALDH1A1LMNAMAPTSMN1; SMN2MET
SCHEMBL31121072 0.88 ALDH1A1 (0.64) ALDH1A1LMNAMAPTSMN1; SMN2CYP1A2
SCHEMBL23887582 0.87 ALDH1A1 (0.60) ALDH1A1LMNAMAPTSMN1; SMN2MET
SCHEMBL30114934 0.87 ALDH1A1 (0.60) ALDH1A1LMNAMAPTSMN1; SMN2MET
SCHEMBL23887626 0.87 ALDH1A1 (0.63) ALDH1A1LMNAMAPTSMN1; SMN2CYP1A2
SCHEMBL30114964 0.87 ALDH1A1 (0.63) ALDH1A1LMNAMAPTSMN1; SMN2CYP1A2
SCHEMBL25404203 0.85 ALDH1A1 (0.60) ALDH1A1LMNAMAPTSMN1; SMN2CYP1A2

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.