SCHEMBL16824880

SCHEMBL16824880

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.56
ALDH1A1 P00352 8/20 0.56
LMNA P02545 4/20 0.56
RAB9A P51151 2/20 0.54
MAPT P10636 3/20 0.53
KMT2A Q03164 3/20 0.53
HTT P42858 4/20 0.52
PAX8 Q06710 2/20 0.52
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
NFKB1 P19838 1/20 0.52
CYP2C19 P33261 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
NPC1 O15118 2/20 0.51
IDE P14735 1/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL18186299 0.89 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1LMNARAB9AMAPT
SCHEMBL16824825 0.86 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1LMNARAB9AMAPT
SCHEMBL16824900 0.86 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1LMNARAB9AMAPT
SCHEMBL13241732 0.82 ALDH1A1 (0.63) SMN1; SMN2ALDH1A1LMNARAB9AMAPT
SCHEMBL1475834 0.81 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1LMNARAB9AMAPT
SCHEMBL17536983 0.81 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1LMNARAB9AMAPT
SCHEMBL28049064 0.79 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1LMNARAB9AMAPT
SCHEMBL16166514 0.79 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1LMNARAB9AMAPT
SCHEMBL29525309 0.79 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1LMNARAB9AMAPT
SCHEMBL28183887 0.79 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1LMNARAB9AMAPT

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 8 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-9714244-B2 Substituted pyrido[4,3-d]pyrimidines as Wee-1 inhibitors ALMAC DISCOVERY LIMITED (GB) 2017-07-25 US disclosed
EP-2984090-B1 2-AMINOPYRIDO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND THEIR USE AS WEE-1 INHIBITORS ALMAC DISCOVERY LTD (GB) 2017-05-31 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
US-20160060258-A1 2-AMINOPYRIDO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND THEIR USE AS WEE-1 INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2016-03-03 US 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 (2 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-20160060258-A1 2-AMINOPYRIDO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND THEIR USE AS WEE-1 INHIBITORS WEE1, WEE2, NME1 SMN1; SMN2 4526/4885ALDH1A1 1226/4885LMNA 3863/4885
US-20160318936-A1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS WEE1, WEE2, NME1 SMN1; SMN2 4422/4885ALDH1A1 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.