SCHEMBL3788946

SCHEMBL3788946

CC(C)(C)OC(=O)C1CNCCN1C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.49
PREP P48147 3/20 0.44
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
KLK7 P49862 2/20 0.43
CTSL P07711 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
FKBP1A P62942 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KLK5 Q9Y337 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
SCHEMBL9259424 0.91 KLK7 (0.48) HTR2CPREPKLK7CTSLFKBP1A
SCHEMBL4674934 0.88 HTR2C (0.52) HTR2CPREPKLK7NPSR1FKBP1A
SCHEMBL6501753 0.87 HTR2C (0.52) HTR2CPREPNPSR1FKBP1ANPC1
SCHEMBL3017853 0.87 HTR2C (0.52) HTR2CPREPNPSR1FKBP1ANPC1
SCHEMBL6487292 0.87 HTR2C (0.52) HTR2CPREPNPSR1FKBP1ANPC1
SCHEMBL27736628 0.86 HTR2C (0.51) HTR2CPREPNPSR1FKBP1ATSHR
SCHEMBL27757498 0.86 HTR2C (0.51) HTR2CPREPNPSR1FKBP1ATSHR
Hydrochloric Acid SCHEMBL7013165 0.86 HTR2C (0.51) HTR2CPREPNPSR1FKBP1ANPC1
SCHEMBL30863413 0.85 PREP (0.54) PREPKLK7NPSR1FKBP1ANPC1
SCHEMBL8220722 0.85 HTR2C (0.53) HTR2CPREPNPSR1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 HTR2C 3422/4885PREP 1919/4885PDK1 261/4885

“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.