SCHEMBL24557950

SCHEMBL24557950

c1ccc(COC[C@H]2O[C@@H](c3cnc4c(NC5CCCC5)nc(C5CC5)nn34)[C@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.37
▸ BCHE P06276 1/20 0.36
▸ PDE2A O00408 1/20 0.35
▸ OGG1 O15527 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ NT5E P21589 2/20 0.34
▸ SSTR1 P30872 1/20 0.34
▸ SSTR2 P30874 1/20 0.34
▸ SSTR4 P31391 1/20 0.34
▸ SSTR3 P32745 1/20 0.34
▸ SSTR5 P35346 1/20 0.34
▸ PTPN1 P18031 4/20 0.33
▸ CDC25B P30305 4/20 0.33

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
SCHEMBL22579639 0.89 PDE2A (0.41) HTR1ABCHEPDE2ACA1CA2
SCHEMBL22569903 0.89 PDE2A (0.41) HTR1ABCHEPDE2ACA1CA2
SCHEMBL22579642 0.87 HTR1A (0.36) HTR1ABCHEPDE2ACA1CA2
SCHEMBL22569957 0.86 HTR1A (0.38) HTR1ABCHEPDE2ACA1CA2
SCHEMBL29398378 0.86 HTR1A (0.38) HTR1ABCHEPDE2ACA1CA2
SCHEMBL22579773 0.85 PTPN1 (0.39) HTR1ABCHENT5ESSTR1SSTR2
SCHEMBL29398438 0.83 PDE2A (0.46) HTR1ABCHEPDE2ANT5E
SCHEMBL24941082 0.81 PDE2A (0.37) HTR1ABCHEPDE2ACA1CA2
SCHEMBL24557992 0.78 PDE2A (0.38) HTR1ABCHEPDE2ACA1CA2
SCHEMBL28406218 0.77 BCHE (0.38) HTR1ABCHEPDE2ACA1CA2

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 3 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

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 HTR1A 2118/4885BCHE 663/4885PDE2A 431/4885

“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.

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