SCHEMBL260437

SCHEMBL260437

CCOC(=O)c1occ(C2OC(COCc3ccccc3)C(OCc3ccccc3)C2(C)OCc2ccccc2)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 4/20 0.42
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
NT5E P21589 1/20 0.35
KDM4E B2RXH2 2/20 0.33
AHR P35869 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ESR1 P03372 1/20 0.32
ALDH1A1 P00352 3/20 0.32
TSHR P16473 2/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTT P42858 2/20 0.32
PKM P14618 1/20 0.32
PTPN1 P18031 1/20 0.32
MEN1 O00255 1/20 0.31
GLA P06280 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
SCHEMBL260030 0.90 NT5E (0.35) TACR2NT5EPTPN1BCHE
SCHEMBL260539 0.87 NT5E (0.32) TACR2NT5E
SCHEMBL261244 0.82 NT5E (0.32) TACR2KMT2ANT5EKDM4EALDH1A1
SCHEMBL3363398 0.82 NT5E (0.32) TACR2KMT2ANT5EKDM4EALDH1A1
SCHEMBL278501 0.81 TACR2 (0.54) TACR2NT5EKDM4EAHRPTPN1
SCHEMBL24557946 0.79 TACR2 (0.55) TACR2NT5EKDM4EAHRPTPN1
SCHEMBL3365162 0.76 HSPA5 (0.38) NT5E
SCHEMBL12253786 0.75 TACR2 (0.44) TACR2RAB9AKMT2ANPC1NT5E
SCHEMBL264531 0.75 BCHE (0.34) NT5EBCHE
SCHEMBL259231 0.73 HTR1A (0.32) TACR2NT5EALDH1A1MAPT

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 4788/4885RAB9A 2246/4885KMT2A 2102/4885
US-20060165655-A1 Therapeutic furopyrimidines and thienopyrimidines DPYD, TYMP, TYMS TACR2 4788/4885RAB9A 2246/4885KMT2A 2102/4885
US-20120213735-A1 THERAPEUTIC FUROPYRIMIDINES AND THIENOPYRIMIDINES DPYD, TYMP, TYMS TACR2 4788/4885RAB9A 2246/4885KMT2A 2102/4885

“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.