SCHEMBL22569935

SCHEMBL22569935

Clc1nc(Cl)c2occ([C@@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]3OCc3ccccc3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.45
HTR1A P08908 1/20 0.41
BCHE P06276 1/20 0.40
NT5E P21589 1/20 0.39
TACR2 P21452 3/20 0.37
PTPN1 P18031 7/20 0.36
CDC25B P30305 7/20 0.36
PTPN2 P17706 3/20 0.36
PTPN6 P29350 3/20 0.36
PTPN11 Q06124 3/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 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

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
SCHEMBL22569932 0.87 PDE2A (0.41) PDE2AHTR1ABCHENT5ETACR2
SCHEMBL29396664 0.87 PDE2A (0.41) PDE2AHTR1ABCHENT5ETACR2
SCHEMBL264765 0.87 HTR1A (0.42) PDE2AHTR1ABCHENT5ETACR2
SCHEMBL24557949 0.83 HTR1A (0.42) PDE2AHTR1ABCHENT5ETACR2
SCHEMBL29487312 0.83 PDE2A (0.45) PDE2AHTR1ABCHENT5ETACR2
SCHEMBL22585301 0.83 PDE2A (0.45) PDE2AHTR1ABCHENT5ETACR2
SCHEMBL29398391 0.80 HTR1A (0.39) PDE2AHTR1ABCHENT5ETACR2
SCHEMBL24557945 0.80 HTR1A (0.39) PDE2AHTR1ABCHENT5ETACR2
SCHEMBL22571935 0.78 PDE2A (0.43) PDE2AHTR1ABCHENT5ETACR2
SCHEMBL28709744 0.78 PDE2A (0.43) PDE2AHTR1ABCHENT5ETACR2

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 5 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
WO-2020210970-A1 IMIDAZOTRIAZINE DERIVATIVES AS CD73 INHIBITORS BIOARDIS LLC (US) 2020-10-22 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 (1 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-20220204539-A1 CD73 INHIBITORS ENTPD5, ENTPD1, ENTPD2 PDE2A 431/4885HTR1A 2118/4885BCHE 663/4885

“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.