SCHEMBL16485904

SCHEMBL16485904

Nc1ncnc2c1ncn2OC(=O)/C=C/C(=O)On1cnc2c(N)ncnc21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.48
ADORA2A P29274 2/20 0.46
ADORA1 P30542 2/20 0.46
AHCY P23526 10/20 0.46
ALDH1A1 P00352 1/20 0.45
HIF1A Q16665 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
PI4KA P42356 1/20 0.43
PI4K2B Q8TCG2 1/20 0.43
PI4K2A Q9BTU6 1/20 0.43
PI4KB Q9UBF8 1/20 0.43

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
SCHEMBL28313164 0.88 AHCY (0.45) GSK3BADORA2AADORA1AHCYALDH1A1
SCHEMBL14125909 0.83 ADORA2A (0.51) GSK3BADORA2AADORA1AHCYALDH1A1
SCHEMBL28406876 0.82 ADORA2A (0.50) GSK3BADORA2AADORA1AHCYALDH1A1
SCHEMBL28113155 0.82 GSK3B (0.51) GSK3BADORA2AADORA1AHCYALDH1A1
SCHEMBL28086747 0.79 ADORA2A (0.48) GSK3BADORA2AADORA1AHCYALDH1A1
SCHEMBL1272854 0.78 ADORA2A (0.51) GSK3BADORA2AADORA1AHCYPI4KA
SCHEMBL28145519 0.77 ADORA2A (0.50) GSK3BADORA2AADORA1AHCYALDH1A1
SCHEMBL28406873 0.77 ADORA2A (0.50) GSK3BADORA2AADORA1AHCYALDH1A1
SCHEMBL385843 0.77 ADORA2A (0.55) GSK3BADORA2AADORA1AHCYADORA3
Sulfuric Acid SCHEMBL10790466 0.76 GSK3B (0.46) GSK3BADORA2AADORA1ALDH1A1PI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106536532-B Tenofovir prodrug novel polymorphic and its preparation method and application 江苏豪森药业集团有限公司 2019-09-03 CN claimed
CN-110146639-A A kind of analysis method of the novel nucleoside acids reverse transcriptase inhibitor in relation to substance 南京正大天晴制药有限公司 2019-08-20 CN claimed
CN-106536532-A New polycrystalline form of tenofovir prodrug, and preparation method and application therefor 江苏豪森药业集团有限公司 2017-03-22 CN claimed
CN-105399771-A Crystal form of tenofovir prodrug, preparation method and application of crystal form JIANGSU HANSOH PHARMACEUTICAL GROUP LIANYUNGANG HONGCHUANG PHARMACEUTICAL CO LTD 2016-03-16 CN claimed
CN-101193642-A Nucleotide analog prodrug and preparation thereof BORUI BIOLOG MEDICAL TECHNOLOG (CN) 2008-06-04 CN claimed
US-20240415838-A1 USE OF TREM-1 INHIBITORS FOR TREATMENT, ELIMINATION AND ERADICATION OF HIV-1 INFECTION UNIV EMORY (US) 2024-12-19 US disclosed
CN-117624242-A Purification method of tenofovir alafenamide intermediate 上海迪赛诺化学制药有限公司 2024-03-01 CN disclosed
CN-117510542-A Ai Miti norfovir fumarate spherical crystal and preparation method thereof 天津大学 2024-02-06 CN disclosed
CN-114591367-B Continuous production method of tenofovir disoproxil fumarate 安徽贝克制药股份有限公司 2023-12-08 CN disclosed
CN-113583050-B Tenofovir Wei Linsuan ester a crystal form and preparation and application thereof 西安新通药物研究股份有限公司 2023-09-01 CN disclosed
CN-113583048-B Tenofovir Wei Linsuan ester c crystal form and preparation and application thereof 西安新通药物研究股份有限公司 2023-09-01 CN disclosed
CN-113583049-B Tenofovir Wei Linsuan ester e crystal form and preparation and application thereof 西安新通药物研究股份有限公司 2023-09-01 CN disclosed
CN-103211826-A Antiviral pharmaceutical composition as well as preparation method and application thereof FUJIAN COSUNTER PHARMACEUTICAL CO LTD 2013-07-24 CN disclosed
CN-102670629-A Compositions and methods for combination antiviral therapy GILEAD SCIENCES INC 2012-09-19 CN disclosed
CN-1738628-B Compositions and methods for combination antiviral therapy GILEAD SCIENCES INC 2012-06-06 CN disclosed
CN-101878032-A Potent combination of zidovudine and agents selected against the K65R mutation in HIV polymerase RFS PHARMA LLC 2010-11-03 CN disclosed
CN-101574356-A Tenofovir disoproxil pharmaceutical salt and preparations thereof HEILONGJIANG CALIFORNIA INTERN (CN) 2009-11-11 CN disclosed
CN-101066981-A Non-cyclic nucleoside phosphonate compound and its composition, prepn process and use SHANGHAI INST OF MEDICINES CAS (CN) 2007-11-07 CN disclosed
CN-1938017-A Therapeutic combinations AGOURON PHARMA (US) 2007-03-28 CN disclosed
CN-1738628-A Compositions and methods for combination antiviral therapy GILEAD SCIENCES INC (US) 2006-02-22 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-20240415838-A1 USE OF TREM-1 INHIBITORS FOR TREATMENT, ELIMINATION AND ERADICATION OF HIV-1 INFECTION MERTK, PNP, HAVCR2 GSK3B 755/4885ADORA2A 112/4885ADORA1 66/4885

“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.