SCHEMBL2260596

SCHEMBL2260596

CCc1cc2c(OC)ccc(C(=O)C(=O)O)c2o1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.49
PDE4B Q07343 5/20 0.49
PDE4C Q08493 5/20 0.49
PDE4D Q08499 5/20 0.49
SLC22A12 Q96S37 8/20 0.45
KDM4E B2RXH2 1/20 0.37
HPGDS O60760 1/20 0.37
CYP3A4 P08684 1/20 0.36
HTR2C P28335 2/20 0.36
HTR2A P28223 1/20 0.36
HTR2B P41595 1/20 0.36
CDC25B P30305 1/20 0.36

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
SCHEMBL7053201 0.81 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL11752418 0.78 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL7052318 0.77 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL3835928 0.73 KCNA3 (0.44) CDC25B
SCHEMBL1287513 0.72 SLC22A12 (0.67) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL2261166 0.71 SLC22A12 (0.64) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL6605574 0.69 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL3924757 0.68 KDM4E (0.49) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL14124722 0.68 CDC25B (0.64) KDM4EHPGDSCYP3A4CDC25B
SCHEMBL7051464 0.68 PDE4D (0.76) PDE4APDE4BPDE4CPDE4D

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
US-8022065-B2 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2011-08-25 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-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 PDE4A 412/4885PDE4B 484/4885PDE4C 539/4885

“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.