SCHEMBL1249906

SCHEMBL1249906

[CH2]O[C@H](C)Cn1cnc2c(N)ncnc21

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.68
ADORA1 P30542 5/20 0.68
CYP3A4 P08684 6/20 0.64
PI4KA P42356 3/20 0.59
PI4K2B Q8TCG2 3/20 0.59
PI4K2A Q9BTU6 3/20 0.59
PI4KB Q9UBF8 3/20 0.59
AHCY P23526 3/20 0.58
ADORA2B P29275 2/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP2D6 P10635 5/20 0.52

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
SCHEMBL28883711 1.00 ADORA2A (0.68) ADORA2AADORA1CYP3A4PI4KAPI4K2B
SCHEMBL20502333 1.00 ADORA2A (0.68) ADORA2AADORA1CYP3A4PI4KAPI4K2B
SCHEMBL1249908 0.87 ADORA2A (0.69) ADORA2AADORA1CYP3A4PI4KAPI4K2B
SCHEMBL10015788 0.87 ADORA2A (0.69) ADORA2AADORA1CYP3A4PI4KAPI4K2B
SCHEMBL19831528 0.86 ADORA2A (0.68) ADORA2AADORA1CYP3A4PI4KAPI4K2B
SCHEMBL15045890 0.84 CYP3A4 (0.70) ADORA2AADORA1CYP3A4PI4KAPI4K2B
SCHEMBL28664282 0.84 CYP3A4 (0.65) ADORA2AADORA1CYP3A4PI4KAPI4K2B
SCHEMBL608687 0.83 CYP3A4 (0.68) ADORA2AADORA1CYP3A4PI4KAPI4K2B
SCHEMBL15257613 0.83 CYP3A4 (0.68) ADORA2AADORA1CYP3A4PI4KAPI4K2B
SCHEMBL22131060 0.83 ADORA2A (0.64) ADORA2AADORA1CYP3A4PI4KAPI4K2B

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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111587107-B Pharmaceutical composition 希普拉有限公司 2023-03-31 CN claimed
CN-109384813-B Preparation method of tenofovir disoproxil fumarate analogue 广州白云山医药集团股份有限公司白云山制药总厂 2021-04-06 CN claimed
CN-111587107-A Pharmaceutical composition 希普拉有限公司 2020-08-25 CN claimed
EP-3641733-A1 PHARMACEUTICAL COMPOSITIONS Cipla Limited (IN) 2020-04-29 EP claimed
WO-2019021319-A1 PHARMACEUTICAL COMPOSITIONS CIPLA LIMITED (IN) 2019-01-31 WO claimed
WO-2019003251-A1 PHARMACEUTICAL COMPOSITIONS CIPLA LIMITED (IN) 2019-01-03 WO claimed
US-20240009214-A1 Method of Treating Viral Infection CIPLA LIMITED (IN) 2024-01-11 US disclosed
CN-114409706-B Preparation method of phenyl hydrogen phosphonate and intermediate thereof 上海医药工业研究院 2023-11-28 CN disclosed
CN-111836818-B Phosphoramidate (phosphonate) acetals and phospho (phosphonate) acetal compounds 纽科利制药公司 2023-10-31 CN disclosed
US-20230310311-A1 HYPOTONIC MICROBICIDAL FORMULATIONS AND METHODS OF USE THE JOHNS HOPKINS UNIVERSITY 2023-10-05 US disclosed
CN-116194144-A Prodrugs of phosphoramide nucleotide analogs and pharmaceutical uses thereof 吉利德科学公司 2023-05-30 CN disclosed
CN-111587107-B Pharmaceutical composition 希普拉有限公司 2023-03-31 CN disclosed
CN-111587107-B Pharmaceutical composition 希普拉有限公司 2023-03-31 CN disclosed
EP-1923063-A2 Compositions and methods for combination antiviral therapy GILEAD SCIENCES, INC. (US) 2008-05-21 EP disclosed
US-20080035155-A1 Topical Antiviral Formulations GILEAD SCIENCES, INC. (US) 2008-02-14 US disclosed
US-20060246130-A1 Compositions and methods for combination antiviral therapy GILEAD SCIENCES, INC. 2006-11-02 US disclosed
US-20060234982-A1 Compositions and methods for combination antiviral therapy GILEAD SCIENCES, INC. 2006-10-19 US disclosed
US-20060058265-A1 Topical antiviral formulations GILEAD SCIENCES, INC. 2006-03-16 US disclosed
US-20040224916-A1 Administering combination comprising 9-[R-2-[[(S)-[[(S)-1-(isopropoxycarbonyl)ethyl]amino]-phenoxyphosphinyl]methoxy]propyl]adenine (GS-7340) or a physiologically functional derivative thereof, and (2R,5S,cis)-4-amino-5-fluoro-1-(2-hydroxymethyl-1,3-oxathiolan-5-yl)-(1H)-pyrimidin-2-one (emtricitabine) GILEAD SCIENCES, INC. 2004-11-11 US disclosed
US-20040224917-A1 Administering combination of [2-(6-amino-purin-9-yl)-1-methyl-ethoxymethyl]-phosphonic acid diisopropoxycarbonyloxymethyl ester fumarate (tenofovir disoproxil fumarate) and (2R, 5S, cis)-4-amino-5-fluoro-1-(2-hydroxymethyl-1,3-oxathiolan-5-yl)-(1H)-pyrimidin-2-one (emtricitabine) GILEAD SCIENCES, INC. 2004-11-11 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 (8 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-20040224916-A1 Administering combination comprising 9-[R-2-[[(S)-[[(S)-1-(isopropoxycarbonyl)ethyl]amino]-phenoxyphosphinyl]methoxy]propyl]adenine (GS-7340) or a physiologically functional derivative thereof, and (2R,5S,cis)-4-amino-5-fluoro-1-(2-hydroxymethyl-1,3-oxathiolan-5-yl)-(1H)-pyrimidin-2-one (emtricitabine) MTAP, TYMP, TYMS ADORA2A 22/4885ADORA1 11/4885CYP3A4 337/4885
US-20040224917-A1 Administering combination of [2-(6-amino-purin-9-yl)-1-methyl-ethoxymethyl]-phosphonic acid diisopropoxycarbonyloxymethyl ester fumarate (tenofovir disoproxil fumarate) and (2R, 5S, cis)-4-amino-5-fluoro-1-(2-hydroxymethyl-1,3-oxathiolan-5-yl)-(1H)-pyrimidin-2-one (emtricitabine) DCTD, MTAP, TYMP ADORA2A 362/4885ADORA1 183/4885CYP3A4 471/4885
US-20240009214-A1 Method of Treating Viral Infection ACE2, ACE, MTAP ADORA2A 1305/4885ADORA1 991/4885CYP3A4 483/4885
US-20060058265-A1 Topical antiviral formulations PNP, TYMP, NT5C2 ADORA2A 308/4885ADORA1 234/4885CYP3A4 2475/4885
US-20060234982-A1 Compositions and methods for combination antiviral therapy TYMS, TYMP, MTAP ADORA2A 88/4885ADORA1 83/4885CYP3A4 364/4885
US-20230310311-A1 HYPOTONIC MICROBICIDAL FORMULATIONS AND METHODS OF USE SI, SAMHD1, VIP ADORA2A 492/4885ADORA1 290/4885CYP3A4 2156/4885
US-20080035155-A1 Topical Antiviral Formulations PNP, TYMP, TK1 ADORA2A 652/4885ADORA1 264/4885CYP3A4 3344/4885
US-20060246130-A1 Compositions and methods for combination antiviral therapy DCTD, TYMP, MTAP ADORA2A 463/4885ADORA1 380/4885CYP3A4 213/4885

“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.