SCHEMBL22569957

SCHEMBL22569957

c1ccc(COC[C@H]2O[C@@H](c3cnc4c(NC5CCCC5)ncnn34)[C@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.38
▸ TP53 P04637 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ SRC P12931 2/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ SSTR1 P30872 1/20 0.35
▸ SSTR2 P30874 1/20 0.35
▸ SSTR4 P31391 1/20 0.35
▸ SSTR3 P32745 1/20 0.35
▸ SSTR5 P35346 1/20 0.35
▸ PDE2A O00408 1/20 0.35
▸ ADORA2A P29274 1/20 0.34
▸ BCHE P06276 1/20 0.34

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
SCHEMBL29398378 1.00 HTR1A (0.38) HTR1ATP53KDM4ENPC1RAB9A
SCHEMBL22579639 0.87 PDE2A (0.41) HTR1ACA1CA2CA9SSTR1
SCHEMBL22569903 0.87 PDE2A (0.41) HTR1ACA1CA2CA9SSTR1
SCHEMBL24557950 0.86 HTR1A (0.37) HTR1ACA1CA2CA9SSTR1
SCHEMBL22579642 0.85 HTR1A (0.36) HTR1ACA1CA2CA9SSTR1
SCHEMBL22579773 0.83 PTPN1 (0.39) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL18490316 0.82 PDE2A (0.44) HTR1ACA1CA2CA9SSTR1
SCHEMBL25379329 0.82 PDE2A (0.44) HTR1ACA1CA2CA9SSTR1
SCHEMBL17106846 0.82 PDE2A (0.44) HTR1ACA1CA2CA9SSTR1
SCHEMBL17106844 0.82 PDE2A (0.44) HTR1ACA1CA2CA9SSTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111094317-B Phosphonic acid derivative with CD73 inhibitory activity, and preparation method and application thereof 上海和誉生物医药科技有限公司 2023-03-31 — — CN disclosed
US-20220204539-A1 CD73 INHIBITORS BIOARDIS LLC 2022-06-30 — — US disclosed
WO-2020210970-A1 IMIDAZOTRIAZINE DERIVATIVES AS CD73 INHIBITORS BIOARDIS LLC (US) 2020-10-22 — — WO disclosed
CN-111094317-A Phosphonic acid derivative with CD73 inhibitory activity, and preparation method and application thereof 上海和誉生物医药科技有限公司 2020-05-01 — — CN 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 2118/4885TP53 1464/4885KDM4E 1974/4885

“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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