SCHEMBL260213

SCHEMBL260213

NC(=O)c1occ(C2OC(COCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)c1N

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.44
TACR2 P21452 3/20 0.42
PTPN1 P18031 9/20 0.41
PTPN2 P17706 5/20 0.41
PTPN11 Q06124 5/20 0.41
CDC25B P30305 7/20 0.41
PTPN6 P29350 4/20 0.41
HTR1A P08908 1/20 0.40
SSTR1 P30872 1/20 0.39
SSTR2 P30874 1/20 0.39
SSTR4 P31391 1/20 0.39
SSTR3 P32745 1/20 0.39
SSTR5 P35346 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
GJB2 P29033 1/20 0.38

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
SCHEMBL259611 0.91 HTR1A (0.43) NT5ETACR2PTPN1PTPN2PTPN11
SCHEMBL278501 0.87 TACR2 (0.54) NT5ETACR2PTPN1PTPN2PTPN11
SCHEMBL259798 0.83 HTR1A (0.41) NT5ETACR2PTPN1PTPN2PTPN11
SCHEMBL24557946 0.80 TACR2 (0.55) NT5ETACR2PTPN1PTPN2PTPN11
SCHEMBL260030 0.78 NT5E (0.35) NT5ETACR2PTPN1PTPN2PTPN11
SCHEMBL259598 0.78 SSTR1 (0.44) NT5ETACR2PTPN1PTPN2PTPN11
SCHEMBL18482843 0.75 NT5E (0.52) NT5ETACR2PTPN1PTPN2PTPN11
SCHEMBL20473791 0.75 NT5E (0.52) NT5ETACR2PTPN1PTPN2PTPN11
SCHEMBL24146815 0.74 NT5E (0.48) NT5ETACR2PTPN1PTPN2PTPN11
SCHEMBL24146786 0.74 NT5E (0.48) NT5ETACR2PTPN1PTPN2PTPN11

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 7 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
EP-1814561-A2 THERAPEUTIC FUROPYRIMIDINES AND THIENOPYRIMIDINES Biocryst Pharmaceuticals, Inc. (US) 2007-08-08 EP disclosed
US-20060165655-A1 Therapeutic furopyrimidines and thienopyrimidines WILMINGTON TRUST, NATIONAL ASSOCIATION 2006-07-27 US disclosed
WO-2006050161-A2 THERAPEUTIC FUROPYRIMIDINES AND THIENOPYRIMIDINES BIOCRYST PHARMACEUTICALS, INC. (US) 2006-05-11 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 (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 170/4885TACR2 4788/4885PTPN1 1134/4885
US-20060165655-A1 Therapeutic furopyrimidines and thienopyrimidines DPYD, TYMP, TYMS NT5E 170/4885TACR2 4788/4885PTPN1 1134/4885
US-20120213735-A1 THERAPEUTIC FUROPYRIMIDINES AND THIENOPYRIMIDINES DPYD, TYMP, TYMS NT5E 170/4885TACR2 4788/4885PTPN1 1134/4885

“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.