SCHEMBL278501

SCHEMBL278501

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

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 4/20 0.54
NT5E P21589 1/20 0.43
PTPN1 P18031 8/20 0.40
CDC25B P30305 5/20 0.39
PTPN2 P17706 4/20 0.39
PTPN11 Q06124 3/20 0.39
BCHE P06276 1/20 0.38
PTPN6 P29350 2/20 0.38
SSTR1 P30872 1/20 0.38
SSTR2 P30874 1/20 0.38
SSTR4 P31391 1/20 0.38
SSTR3 P32745 1/20 0.38
SSTR5 P35346 1/20 0.38
HTR1A P08908 1/20 0.38
KDM4E B2RXH2 1/20 0.36
AHR P35869 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
SCHEMBL24557946 0.93 TACR2 (0.55) TACR2NT5EPTPN1CDC25BPTPN2
SCHEMBL260213 0.87 NT5E (0.44) TACR2NT5EPTPN1CDC25BPTPN2
SCHEMBL259611 0.84 HTR1A (0.43) TACR2NT5EPTPN1CDC25BPTPN2
SCHEMBL260437 0.81 TACR2 (0.42) TACR2NT5EPTPN1BCHEKDM4E
SCHEMBL259798 0.79 HTR1A (0.41) TACR2NT5EPTPN1CDC25BPTPN2
SCHEMBL259598 0.76 SSTR1 (0.44) TACR2NT5EPTPN1CDC25BPTPN2
SCHEMBL22288928 0.76 TACR2 (0.56) TACR2NT5EPTPN1CDC25BPTPN2
SCHEMBL22704686 0.75 TACR2 (0.51) TACR2NT5EPTPN1CDC25BPTPN2
SCHEMBL18405449 0.74 TACR2 (0.58) TACR2NT5EPTPN1CDC25BPTPN2
SCHEMBL2581948 0.74 PTPN1 (0.51) TACR2NT5EPTPN1CDC25BPTPN2

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 TACR2 4788/4885NT5E 170/4885PTPN1 1134/4885
US-20060165655-A1 Therapeutic furopyrimidines and thienopyrimidines DPYD, TYMP, TYMS TACR2 4788/4885NT5E 170/4885PTPN1 1134/4885
US-20120213735-A1 THERAPEUTIC FUROPYRIMIDINES AND THIENOPYRIMIDINES DPYD, TYMP, TYMS TACR2 4788/4885NT5E 170/4885PTPN1 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.