SCHEMBL3305032

SCHEMBL3305032

C[C@H](Cn1cnc2c(N)ncnc21)OCP

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 9/20 0.68
▸ ADORA2A P29274 4/20 0.64
▸ ADORA1 P30542 3/20 0.64
▸ PI4KA P42356 2/20 0.56
▸ PI4K2B Q8TCG2 2/20 0.56
▸ PI4K2A Q9BTU6 2/20 0.56
▸ PI4KB Q9UBF8 2/20 0.56
▸ AHCY P23526 2/20 0.56
▸ CYP2D6 P10635 9/20 0.55
▸ FAP Q12884 1/20 0.54
▸ ADORA2B P29275 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.53

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
SCHEMBL608687 1.00 CYP3A4 (0.68) CYP3A4ADORA2AADORA1PI4KAPI4K2B
Water SCHEMBL28104561 0.99 CYP3A4 (0.67) CYP3A4ADORA2AADORA1PI4KAPI4K2B
Water SCHEMBL28104578 0.99 CYP3A4 (0.67) CYP3A4ADORA2AADORA1PI4KAPI4K2B
SCHEMBL15045890 0.88 CYP3A4 (0.70) CYP3A4ADORA2AADORA1PI4KAPI4K2B
SCHEMBL15257613 0.86 CYP3A4 (0.68) CYP3A4ADORA2AADORA1PI4KAPI4K2B
SCHEMBL19831528 0.86 ADORA2A (0.68) CYP3A4ADORA2AADORA1PI4KAPI4K2B
SCHEMBL10015788 0.85 ADORA2A (0.69) CYP3A4ADORA2AADORA1PI4KAPI4K2B
SCHEMBL1249908 0.85 ADORA2A (0.69) CYP3A4ADORA2AADORA1PI4KAPI4K2B
SCHEMBL15161690 0.84 CYP3A4 (0.69) CYP3A4ADORA2AADORA1PI4KAPI4K2B
SCHEMBL28664282 0.84 CYP3A4 (0.65) CYP3A4ADORA2AADORA1PI4KAPI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106046055-A R-9-(2-phosphonomethoxy propyl)-adenine monohydrate crystals, preparation thereof and preparation of tenofovir disoproxil fumarate 湖北丽益医药科技有限公司 2016-10-26 — — CN claimed
US-20230404976-A1 PHARMACEUTICAL COMBINATION CONTAINING CAPSID PROTEIN INHIBITOR AND NUCLEOSIDE ANALOG CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-12-21 — — US disclosed
EP-3386512-B1 ANTIVIRAL PHOSPHODIAMIDE PRODRUGS OF TENOFOVIR MERCK SHARP & DOHME LLC (US) 2023-11-22 — — EP disclosed
EP-4241770-A1 PHARMACEUTICAL COMBINATION CONTAINING CAPSID PROTEIN INHIBITOR AND NUCLEOSIDE ANALOG CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-09-13 — — EP disclosed
CN-110452269-A A method of tenofovir is prepared using microreactor QILU ANTIBIOTICS LINYI PHARMACEUTICAL CO LTD 2019-11-15 — — CN disclosed
EP-2998307-B1 PHOSPHORIC ACID/PHOSPHONIC ACID DERIVATIVES AND MEDICINAL USES THEREOF BEIJING SL PHARMACEUTICAL CO LTD (CN) 2018-10-31 — — EP disclosed
CN-106046055-A R-9-(2-phosphonomethoxy propyl)-adenine monohydrate crystals, preparation thereof and preparation of tenofovir disoproxil fumarate 湖北丽益医药科技有限公司 2016-10-26 — — CN disclosed
US-20160115186-A1 PHOSPHORIC ACID/PHOSPHONIC ACID DERIVATIVES AND MEDICINAL USES THEREOF Nanjing Cavendish Bio-Engineering Technology Co., Ltd. (CN) 2016-04-28 — — US disclosed
EP-2998307-A1 PHOSPHORIC ACID/PHOSPHONIC ACID DERIVATIVES AND MEDICINAL USES THEREOF Beijing Meibeita Drug Res Co., Ltd (CN) 2016-03-23 — — EP disclosed
US-8884011-B2 Nucleotide analogues as precursor molecules for antivirals CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE-CNRS (FR) 2014-11-11 — — US disclosed
US-8884011-B2 Nucleotide analogues as precursor molecules for antivirals CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE-CNRS (FR) 2014-11-11 — — US disclosed
US-8884011-B2 Nucleotide analogues as precursor molecules for antivirals CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE-CNRS (FR) 2014-11-11 — — US disclosed
US-20100099869-A1 NOVEL NUCLEOTIDE ANALOGUES AS PRECUSOR MOLECULES FOR ANTIVIRALS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE-CNRS (FR) 2010-04-22 — — US disclosed
US-20100099869-A1 NOVEL NUCLEOTIDE ANALOGUES AS PRECUSOR MOLECULES FOR ANTIVIRALS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE-CNRS (FR) 2010-04-22 — — US disclosed
US-20100099869-A1 NOVEL NUCLEOTIDE ANALOGUES AS PRECUSOR MOLECULES FOR ANTIVIRALS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE-CNRS (FR) 2010-04-22 — — US disclosed
WO-2008056264-A2 NOVEL NUCLEOTIDE ANALOGUES AS PERCURSOR MOLECULES FOR ANTIVIRALS CENTRE NATIONAL DE RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2008-05-15 — — 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 (3 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-20230404976-A1 PHARMACEUTICAL COMBINATION CONTAINING CAPSID PROTEIN INHIBITOR AND NUCLEOSIDE ANALOG HAVCR2, PNP, SLC10A1 CYP3A4 955/4885ADORA2A 2514/4885ADORA1 2780/4885
US-20160115186-A1 PHOSPHORIC ACID/PHOSPHONIC ACID DERIVATIVES AND MEDICINAL USES THEREOF P2RY1, SQLE, PHOSPHO1 CYP3A4 792/4885ADORA2A 151/4885ADORA1 62/4885
US-20100099869-A1 NOVEL NUCLEOTIDE ANALOGUES AS PRECUSOR MOLECULES FOR ANTIVIRALS NUDT1, P2RY1, HPRT1 CYP3A4 1622/4885ADORA2A 79/4885ADORA1 33/4885

“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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