SCHEMBL264649

SCHEMBL264649

O=c1[nH]cnc2c([C@@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]3OCc3ccccc3)coc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.42
TACR2 P21452 3/20 0.40
NT5E P21589 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
BCHE P06276 2/20 0.38
ACHE P22303 1/20 0.38
PTPN1 P18031 5/20 0.37
CDC25B P30305 5/20 0.37
PTPN2 P17706 2/20 0.37
PTPN6 P29350 2/20 0.37
PTPN11 Q06124 2/20 0.37
PDE2A O00408 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
SCHEMBL22579768 0.92 TACR2 (0.43) HTR1ATACR2NT5ECA1CA2
SCHEMBL11997783 0.84 IP6K1 (0.33) TACR2
SCHEMBL264765 0.81 HTR1A (0.42) HTR1ATACR2NT5ECA1CA2
SCHEMBL264654 0.79 TACR2 (0.32) HTR1ATACR2NT5EBCHEACHE
SCHEMBL2101954 0.78 TACR2 (0.40) HTR1ATACR2NT5EBCHEPTPN1
SCHEMBL22579769 0.77 HTR1A (0.39) HTR1ATACR2NT5ECA1CA2
SCHEMBL24557949 0.77 HTR1A (0.42) HTR1ATACR2NT5ECA1CA2
SCHEMBL22569935 0.77 PDE2A (0.45) HTR1ATACR2NT5ECA1CA2
SCHEMBL20214810 0.74 HTR1A (0.43) HTR1ATACR2NT5ECA1CA2
SCHEMBL24557945 0.74 HTR1A (0.39) HTR1ATACR2NT5ECA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 4285/4885TACR2 4788/4885NT5E 170/4885
US-20220204539-A1 CD73 INHIBITORS ENTPD5, ENTPD1, ENTPD2 HTR1A 2118/4885TACR2 2520/4885NT5E 8/4885
US-20100143300-A1 HEPATITIS C THERAPIES HAVCR2, FABP1, LIPC HTR1A 4620/4885TACR2 1850/4885NT5E 1126/4885

“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.