SCHEMBL20553048

SCHEMBL20553048

N#C[C@]1(c2ccc3c(N)ncnn23)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.35
▸ TMPRSS2 O15393 1/20 0.34
▸ HTR1A P08908 1/20 0.33
▸ HSPA5 P11021 1/20 0.33
▸ PTPN1 P18031 4/20 0.32
▸ CDC25B P30305 4/20 0.32
▸ BCHE P06276 2/20 0.32
▸ ACHE P22303 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31

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
SCHEMBL12243178 1.00 PDE2A (0.35) PDE2ATMPRSS2HTR1AHSPA5PTPN1
SCHEMBL20477154 1.00 PDE2A (0.35) PDE2ATMPRSS2HTR1AHSPA5PTPN1
SCHEMBL27086511 1.00 PDE2A (0.35) PDE2ATMPRSS2HTR1AHSPA5PTPN1
SCHEMBL29727834 1.00 PDE2A (0.35) PDE2ATMPRSS2HTR1AHSPA5PTPN1
SCHEMBL17712276 1.00 PDE2A (0.35) PDE2ATMPRSS2HTR1AHSPA5PTPN1
Maleic Acid SCHEMBL20552110 0.94 TMPRSS2 (0.36) PDE2ATMPRSS2HSPA5PTPN1CDC25B
SCHEMBL24158032 0.92 PDE2A (0.38) PDE2ATMPRSS2HTR1AHSPA5PTPN1
SCHEMBL22646505 0.92 PDE2A (0.38) PDE2ATMPRSS2HTR1AHSPA5PTPN1
SCHEMBL14817042 0.92 HSPA5 (0.35) PDE2ATMPRSS2HTR1AHSPA5PTPN1
SCHEMBL12393267 0.91 PDE2A (0.35) PDE2AHTR1AHSPA5PTPN1CDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118852168-A Novel method for preparing benzyl carbon nucleoside analogue on large scale and application thereof 深圳科兴药业有限公司 2024-10-29 — — CN disclosed
US-12030906-B2 Crystalline forms of (s)-2-ethylbutyl 2-(((s)-(((2r,3s,4r,5r)-5-(4-aminopyrrolo[2,1-f] [1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydrofuran-2-yl)methoxy) (phenoxy) phosphoryl)amino)propanoate GILEAD SCIENCES, INC. (US) 2024-07-09 — — US disclosed
US-20230348519-A1 CRYSTALLINE FORMS OF (S)-2-ETHYLBUTYL 2-(((S)-(((2R,3S,4R,5R)-5- (4-AMINOPYRROLO[2,1-F] [1,2,4]TRIAZIN-7-YL)-5-CYANO-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL)METHOXY) (PHENOXY) PHOSPHORYL)AMINO)PROPANOATE GILEAD SCIENCES, INC. 2023-11-02 — — US disclosed
EP-4219513-A1 CRYSTALLINE FORM OF (S)-2-ETHYLBUTYL 2-(((S)-(((2R,3S,4R,5R)-5-(4-AMINOPYRROLO[2,1-F] [1,2,4]TRIAZIN-7-YL)-5-CYANO-3,4-DIHYDROXYTETRAHYDROFURAN2-YL)METHOXY)(PHENOXY) PHOSPHORYL)AMINO)PROPANOATE Gilead Sciences, Inc. (US) 2023-08-02 — — EP disclosed
US-11597742-B2 Crystalline forms of (S)-2-ethylbutyl 2-(((S)-(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f] [1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydrofuran-2-yl)methoxy) (phenoxy) phosphoryl)amino)propanoate GILEAD SCIENCES, INC. (US) 2023-03-07 — — US disclosed
EP-3618929-B1 A CRYSTALLINE FORM OF (S) 2 ETHYLBUTYL 2 (((S) (((2R,3S,4R,5R) 5 (4 AMINOPYRROLO[2,1-F][1,2,4]TRIAZIN-7-YL)-5-CYANO-3,4-DIHYDROXYTETRAHYDROFURAN-2 YL)METHOXY)(PHENOXY) PHOSPHORYL)AMINO)PROPANOATE GILEAD SCIENCES INC (US) 2022-12-07 — — EP disclosed
CN-115403626-A Novel crystalline forms 吉利德科学公司 2022-11-29 — — CN disclosed
CN-110636884-B Novel crystalline forms 吉利德科学公司 2022-10-04 — — CN disclosed
US-20210163523-A1 CRYSTALLINE FORMS OF (S)-2-ETHYLBUTYL 2-(((S)-(((2R,3S,4R,5R)-5- (4-AMINOPYRROLO[2,1-F] [1,2,4]TRIAZIN-7-YL)-5-CYANO-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL)METHOXY) (PHENOXY) PHOSPHORYL)AMINO)PROPANOATE GILEAD SCIENCES, INC. 2021-06-03 — — US disclosed
US-10836787-B2 Crystalline forms of (S)-2-ethylbutyl 2-(((S)-(((2R,3S,4R,5R)-5- (4-aminopyrrolo[2,1-f] [1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(phenoxy) phosphoryl)amino)propanoate GILEAD SCIENCES, INC. (US) 2020-11-17 — — US disclosed
EP-3618929-A1 CRYSTALLINE FORMS OF (S) 2 ETHYLBUTYL 2 (((S) (((2R,3S,4R,5R) 5 (4 AMINOPYRROLO[2,1-F][1,2,4]TRIAZIN-7-YL)-5-CYANO-3,4-DIHYDROXYTETRAHYDROFURAN-2 YL)METHOXY)(PHENOXY) PHOSPHORYL)AMINO)PROPANOATE Gilead Sciences, Inc. (US) 2020-03-11 — — EP disclosed
US-20180346504-A1 CRYSTALLINE FORMS OF (S)-2-ETHYLBUTYL 2-(((S)-(((2R,3S,4R,5R)-5- (4-AMINOPYRROLO[2,1-F] [1,2,4]TRIAZIN-7-YL)-5-CYANO-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL)METHOXY) (PHENOXY) PHOSPHORYL)AMINO)PROPANOATE GILEAD SCIENCES, INC. 2018-12-06 — — US disclosed
WO-2018204198-A1 CRYSTALLINE FORMS OF (S) 2 ETHYLBUTYL 2 (((S) (((2R,3S,4R,5R) 5 (4 AMINOPYRROLO[2,1-F] [1,2,4]TRIAZIN-7-YL)-5-CYANO-3,4-DIHYDROXYTETRAHYDROFURAN-2 YL)METHOXY)(PHENOXY) PHOSPHORYL)AMINO)PROPANOATE GILEAD SCIENCES, INC. (US) 2018-11-08 — — 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 (6 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-20180346504-A1 CRYSTALLINE FORMS OF (S)-2-ETHYLBUTYL 2-(((S)-(((2R,3S,4R,5R)-5- (4-AMINOPYRROLO[2,1-F] [1,2,4]TRIAZIN-7-YL)-5-CYANO-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL)METHOXY) (PHENOXY) PHOSPHORYL)AMINO)PROPANOATE SARS1, MTAP, PNP PDE2A 1328/4885TMPRSS2 95/4885HTR1A 1091/4885
US-12030906-B2 Crystalline forms of (s)-2-ethylbutyl 2-(((s)-(((2r,3s,4r,5r)-5-(4-aminopyrrolo[2,1-f] [1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydrofuran-2-yl)methoxy) (phenoxy) phosphoryl)amino)propanoate SARS1, MTAP, PNP PDE2A 1328/4885TMPRSS2 95/4885HTR1A 1091/4885
US-10836787-B2 Crystalline forms of (S)-2-ethylbutyl 2-(((S)-(((2R,3S,4R,5R)-5- (4-aminopyrrolo[2,1-f] [1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(phenoxy) phosphoryl)amino)propanoate MTAP, SARS1, PNP PDE2A 1157/4885TMPRSS2 229/4885HTR1A 1173/4885
US-20210163523-A1 CRYSTALLINE FORMS OF (S)-2-ETHYLBUTYL 2-(((S)-(((2R,3S,4R,5R)-5- (4-AMINOPYRROLO[2,1-F] [1,2,4]TRIAZIN-7-YL)-5-CYANO-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL)METHOXY) (PHENOXY) PHOSPHORYL)AMINO)PROPANOATE SARS1, MTAP, PNP PDE2A 1328/4885TMPRSS2 95/4885HTR1A 1091/4885
US-11597742-B2 Crystalline forms of (S)-2-ethylbutyl 2-(((S)-(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f] [1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydrofuran-2-yl)methoxy) (phenoxy) phosphoryl)amino)propanoate SARS1, MTAP, PNP PDE2A 1328/4885TMPRSS2 95/4885HTR1A 1091/4885
US-20230348519-A1 CRYSTALLINE FORMS OF (S)-2-ETHYLBUTYL 2-(((S)-(((2R,3S,4R,5R)-5- (4-AMINOPYRROLO[2,1-F] [1,2,4]TRIAZIN-7-YL)-5-CYANO-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL)METHOXY) (PHENOXY) PHOSPHORYL)AMINO)PROPANOATE SARS1, MTAP, PNP PDE2A 1328/4885TMPRSS2 95/4885HTR1A 1091/4885

“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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