SCHEMBL260539

SCHEMBL260539

CC1(OCc2ccccc2)C(c2coc(C(N)=S)c2N)OC(COCc2ccccc2)C1OCc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.32
HTR1A P08908 1/20 0.32
GJB2 P29033 2/20 0.30
TACR2 P21452 1/20 0.30
SSTR1 P30872 1/20 0.30
SSTR2 P30874 1/20 0.30
SSTR4 P31391 1/20 0.30
SSTR3 P32745 1/20 0.30
SSTR5 P35346 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL260030 0.92 NT5E (0.35) NT5ETACR2SSTR4
SCHEMBL260437 0.87 TACR2 (0.42) NT5ETACR2
SCHEMBL3363398 0.84 NT5E (0.32) NT5EHTR1AGJB2TACR2SSTR1
SCHEMBL261244 0.84 NT5E (0.32) NT5EHTR1AGJB2TACR2SSTR1
SCHEMBL3365162 0.78 HSPA5 (0.38) NT5EHTR1A
SCHEMBL259611 0.77 HTR1A (0.43) NT5EHTR1AGJB2TACR2SSTR1
SCHEMBL259231 0.77 HTR1A (0.32) NT5EHTR1AGJB2TACR2SSTR1
SCHEMBL264531 0.75 BCHE (0.34) NT5EHTR1A
SCHEMBL13695333 0.74 PDE4D (0.40) NT5EHTR1AGJB2TACR2SSTR1
SCHEMBL3174043 0.74 PDE4D (0.40) NT5EHTR1AGJB2TACR2SSTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120213735-A1 THERAPEUTIC FUROPYRIMIDINES AND THIENOPYRIMIDINES BIOCRYST PHARMACEUTICALS, INC. (US) 2012-08-23 US disclosed
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
US-20060165655-A1 Therapeutic furopyrimidines and thienopyrimidines WILMINGTON TRUST, NATIONAL ASSOCIATION 2006-07-27 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 (3 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 NT5E 170/4885HTR1A 4285/4885GJB2 3977/4885
US-20060165655-A1 Therapeutic furopyrimidines and thienopyrimidines DPYD, TYMP, TYMS NT5E 170/4885HTR1A 4285/4885GJB2 3977/4885
US-20120213735-A1 THERAPEUTIC FUROPYRIMIDINES AND THIENOPYRIMIDINES DPYD, TYMP, TYMS NT5E 170/4885HTR1A 4285/4885GJB2 3977/4885

“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.