SCHEMBL13752152

SCHEMBL13752152

CCN(CC)CCNS(=O)(=O)CC

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.50
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
GFER P55789 1/20 0.42

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
SCHEMBL12589712 0.81 SIGMAR1 (0.50) SIGMAR1ALDH1A1MAPK1GFER
SCHEMBL8591720 0.80 SIGMAR1 (0.35) SIGMAR1ALDH1A1MAPK1GFER
SCHEMBL3151454 0.78 ALDH1A1 (0.60) ALDH1A1
SCHEMBL23855085 0.77
SCHEMBL9665524 0.76 CA1 (0.45) ALDH1A1
SCHEMBL13742976 0.76 SIGMAR1 (0.46) SIGMAR1ALDH1A1MAPK1GFER
SCHEMBL6602215 0.72
SCHEMBL19871823 0.71 ALDH1A1 (0.38) SIGMAR1ALDH1A1
SCHEMBL28254607 0.71
SCHEMBL805368 0.71

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215805-A1 4-Heteroaryl Pyrimidine Derivatives and use thereof as Protein Kinase Inhibitors CYCLACEL LIMITED (GB) 2009-08-27 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-20090215805-A1 4-Heteroaryl Pyrimidine Derivatives and use thereof as Protein Kinase Inhibitors CDK2, ABL1, CDK20 SIGMAR1 4559/4885ALDH1A1 2354/4885MAPK1 188/4885

“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.