SCHEMBL10144609

SCHEMBL10144609

C=C(C)OC(=O)C1CN(CCN)CCN1C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.44
TMEM97 Q5BJF2 5/20 0.44
PREP P48147 3/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
HRH2 P25021 1/20 0.41
HTR2C P28335 1/20 0.41
HTR1E P28566 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
KLK7 P49862 1/20 0.41
KLK5 Q9Y337 1/20 0.41
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
FKBP1A P62942 1/20 0.41

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
SCHEMBL13227748 0.85 PDK1 (0.46) SIGMAR1TMEM97PREPKLK7PDK1
SCHEMBL3783660 0.82 KLK7 (0.47) SIGMAR1TMEM97PREPKLK7KLK5
SCHEMBL10144479 0.81 PDK1 (0.46) SIGMAR1TMEM97PREPPDK1PDK2
SCHEMBL15298942 0.75 FKBP1A (0.51) SIGMAR1TMEM97PREPPDK1PDK2
SCHEMBL6141635 0.75 FKBP1A (0.51) SIGMAR1TMEM97PREPPDK1PDK2
SCHEMBL6498226 0.75 PRCP (0.52) SIGMAR1TMEM97PREPFKBP1A
SCHEMBL7499928 0.75 PRCP (0.52) SIGMAR1TMEM97PREPFKBP1A
SCHEMBL27757433 0.74 TMEM97 (0.52) SIGMAR1TMEM97PREPPDK1PDK2
SCHEMBL27736650 0.74 TMEM97 (0.52) SIGMAR1TMEM97PREPPDK1PDK2
SCHEMBL13227741 0.73 SIGMAR1 (0.53) SIGMAR1TMEM97PREPPDK1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079743-B1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD (GB) 2012-01-25 EP disclosed
US-20100216802-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. (GB) 2010-08-26 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-20100216802-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER PLK2, PLK4, PLK3 SIGMAR1 2777/4885TMEM97 4381/4885PREP 1919/4885

“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.