SCHEMBL264531

SCHEMBL264531

C[C@@]1(OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H]1c1coc2c(Cl)ncnc12

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.34
PDE2A O00408 2/20 0.33
HSPA5 P11021 1/20 0.32
NT5E P21589 1/20 0.31
HTR1A P08908 1/20 0.31

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
SCHEMBL3365162 0.90 HSPA5 (0.38) PDE2AHSPA5NT5EHTR1A
SCHEMBL264654 0.83 TACR2 (0.32) BCHENT5EHTR1A
SCHEMBL11997786 0.83
SCHEMBL264765 0.78 HTR1A (0.42) BCHEPDE2ANT5EHTR1A
SCHEMBL13531950 0.76 BCHE (0.35) BCHEPDE2AHSPA5HTR1A
SCHEMBL261244 0.75 NT5E (0.32) NT5EHTR1A
SCHEMBL3363398 0.75 NT5E (0.32) NT5EHTR1A
SCHEMBL260711 0.75 BCHE (0.37) BCHEPDE2AHTR1A
SCHEMBL260437 0.75 TACR2 (0.42) BCHENT5E
SCHEMBL260539 0.75 NT5E (0.32) NT5EHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133870-B2 Therapeutic furopyrimidines and thienopyrimidines BIOCRYST PHARMACEUTICALS, INC. (US) 2012-03-13 US disclosed
US-20080300200-A1 Therapeutic Furopyrimidines and Thienopyrimidines BIOCRYST PHARMACEUTICALS, INC. (US) 2008-12-04 US disclosed
US-7429571-B2 Therapeutic furopyrimidines and thienopyrimidines BIOCRYST PHARMACEUTICALS, INC. (US) 2008-09-30 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-20080300200-A1 Therapeutic Furopyrimidines and Thienopyrimidines DPYD, TYMP, TYMS BCHE 4567/4885PDE2A 2469/4885HSPA5 2725/4885

“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.