SCHEMBL264765

SCHEMBL264765

Clc1ncnc2c([C@@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]3OCc3ccccc3)coc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.42
PDE2A O00408 1/20 0.41
BCHE P06276 1/20 0.40
NT5E P21589 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
TACR2 P21452 3/20 0.38
PTPN1 P18031 6/20 0.38
CDC25B P30305 6/20 0.38
PTPN2 P17706 2/20 0.36
PTPN6 P29350 2/20 0.36
PTPN11 Q06124 2/20 0.36
SSTR1 P30872 1/20 0.36
SSTR2 P30874 1/20 0.36
SSTR4 P31391 1/20 0.36
SSTR3 P32745 1/20 0.36
SSTR5 P35346 1/20 0.36
GJB2 P29033 1/20 0.35

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
SCHEMBL22569935 0.87 PDE2A (0.45) HTR1APDE2ABCHENT5ECA1
SCHEMBL22579769 0.85 HTR1A (0.39) HTR1APDE2ABCHENT5ECA1
SCHEMBL264649 0.81 HTR1A (0.42) HTR1APDE2ABCHENT5ECA1
SCHEMBL24557949 0.80 HTR1A (0.42) HTR1APDE2ABCHENT5ECA1
SCHEMBL264531 0.78 BCHE (0.34) HTR1APDE2ABCHENT5E
SCHEMBL29396664 0.78 PDE2A (0.41) HTR1APDE2ABCHENT5ECA1
SCHEMBL22569932 0.78 PDE2A (0.41) HTR1APDE2ABCHENT5ECA1
SCHEMBL24557947 0.78 GJB2 (0.39) HTR1ANT5ETACR2GJB2
SCHEMBL24557945 0.77 HTR1A (0.39) HTR1APDE2ABCHENT5ECA1
SCHEMBL29398391 0.77 HTR1A (0.39) HTR1APDE2ABCHENT5ECA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220204539-A1 CD73 INHIBITORS BIOARDIS LLC 2022-06-30 US disclosed
US-20220204539-A1 CD73 INHIBITORS BIOARDIS LLC 2022-06-30 US disclosed
EP-3956341-A1 CD73 INHIBITORS Bioardis LLC (US) 2022-02-23 EP disclosed
WO-2020211672-A1 CD73 INHIBITORS BIOARDIS LLC (US) 2020-10-22 WO disclosed
US-8163703-B2 Hepatitis C therapies BIOCRYST PHARMACEUTICALS, INC. (US) 2012-04-24 US disclosed
US-8133870-B2 Therapeutic furopyrimidines and thienopyrimidines BIOCRYST PHARMACEUTICALS, INC. (US) 2012-03-13 US disclosed
US-20100143300-A1 HEPATITIS C THERAPIES WILMINGTON TRUST, NATIONAL ASSOCIATION 2010-06-10 US disclosed
US-7514410-B2 Hepatitis C therapies BIOCRYST PHARMACEUTICALS, INC. (US) 2009-04-07 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 (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 HTR1A 4285/4885PDE2A 2469/4885BCHE 4567/4885
US-20220204539-A1 CD73 INHIBITORS ENTPD5, ENTPD1, ENTPD2 HTR1A 2118/4885PDE2A 431/4885BCHE 663/4885
US-20100143300-A1 HEPATITIS C THERAPIES HAVCR2, FABP1, LIPC HTR1A 4620/4885PDE2A 2540/4885BCHE 1956/4885

“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.