SCHEMBL3783660

SCHEMBL3783660

NCCN1CCN(C(=O)OCc2ccccc2)C(C(=O)OC2CCCC2)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.47
KLK5 Q9Y337 1/20 0.47
PREP P48147 4/20 0.46
TMEM97 Q5BJF2 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CTRB1 P17538 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM1A O60341 1/20 0.42
RCOR1 Q9UKL0 1/20 0.42
FKBP1A P62942 2/20 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
SCHEMBL13227744 0.87 TMEM97 (0.49) KLK7KLK5PREPTMEM97SIGMAR1
SCHEMBL13227739 0.85 TMEM97 (0.52) KLK7KLK5PREPTMEM97SIGMAR1
SCHEMBL13227748 0.83 PDK1 (0.46) KLK7PREPTMEM97SIGMAR1NPSR1
SCHEMBL13261139 0.82 PDE4B (0.46) KLK7KLK5PREPTMEM97SIGMAR1
SCHEMBL10144609 0.82 SIGMAR1 (0.44) KLK7KLK5PREPTMEM97SIGMAR1
SCHEMBL1411328 0.82 KLK7 (0.44) KLK7KLK5PREPNPSR1TSHR
SCHEMBL375867 0.80 CHRM3 (0.35) SMN1; SMN2
SCHEMBL3782792 0.79 KLK7 (0.50) KLK7KLK5PREPNPSR1TSHR
SCHEMBL12810017 0.79 KLK7 (0.42) KLK7KLK5PREPNPSR1TSHR
SCHEMBL10144479 0.79 PDK1 (0.46) PREPTMEM97SIGMAR1NPSR1TSHR

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 6 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
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
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
CN-101541800-A Pteridine derivatives as polo-like kinase inhibitors useful in the treatment of cancer CHROMA THERAPEUTICS LTD (GB) 2009-09-23 CN disclosed
WO-2008050096-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. (GB) 2008-05-02 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-20100216802-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER PLK2, PLK4, PLK3 KLK7 2507/4885KLK5 1797/4885PREP 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.